chempirical

Methanone, [4-(phenylmethyl)-1-piperazinyl](4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)-, hydrochloride (1:1)

C18H24ClN5OCAS 1220027-11-1361.87 g/mol

Open in Covalent MOL file
HClONHNNHNN
AmideSecondary amineTertiary amine

Properties

Molecular formula
C18H24ClN5O
Molar mass
361.87 g/mol
Exact mass
361.1669 Da
logP
1.44Crippen estimate
Polar surface area
64.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
1220027-11-1
SMILES
Cl.O=C(c1n[nH]c2c1CNCC2)N1CCN(Cc2ccccc2)CC1
InChIKey
WZHVTSHOVLBSEH-UHFFFAOYSA-N
InChI
InChI=1S/C18H23N5O.ClH/c24-18(17-15-12-19-7-6-16(15)20-21-17)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14;/h1-5,19H,6-13H2,(H,20,21);1H

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Work with Methanone, [4-(phenylmethyl)-1-piperazinyl](4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)-, hydrochloride (1:1)

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Benzyl-N-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-C]pyridine-3-carboxamide hydrochloride1219982-64-575 % similar Methanone, (3,4-dihydro-2(1H)-isoquinolinyl)(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)-, hydrochloride (1:1)1219957-23-970 % similar Methanone, 1-pyrrolidinyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)-, hydrochloride (1:1)1219976-21-269 % similar 1-Piperidinyl(4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-C]pyridin-3-yl)methanone hydrochloride1220039-26-868 % similar 4-Morpholinyl(4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-C]pyridin-3-yl)methanone hydrochloride1220027-05-365 % similar (4-Methyl-1-piperidinyl)(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)methanone hcl1220029-24-262 % similar 1H-Pyrazolo[4,3-C]pyridine-3-carboxamide, N,N-diethyl-4,5,6,7-tetrahydro-, hydrochloride (1:1)1220017-83-362 % similar 3,4-Dihydro-1(2H)-quinolinyl(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-C]pyridin-3-yl)methanone hcl1220033-90-861 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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