1-Methyl-4-(4-morpholin-4-yl-7H-pyrrolo(2,3-d)pyrimidin-5-yl)pyrrole-2-carbonitrile

C₁₆H₁₆N₆OCAS 1527475-61-1308.35 g/mol

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Ether Nitrile Tertiary amine

Properties

Molecular formula: C₁₆H₁₆N₆O
Molar mass: 308.35 g/mol
Exact mass: 308.1386 Da
logP: 1.67Crippen estimate
Polar surface area: 82.8 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Identifiers

CAS number

1527475-61-1

SMILES

CN1C=C(C=C1C#N)C2=CNC3=C2C(=NC=N3)N4CCOCC4

InChIKey

IYQTYHISVSPMSU-UHFFFAOYSA-N

InChI

InChI=1S/C16H16N6O/c1-21-9-11(6-12(21)7-17)13-8-18-15-14(13)16(20-10-19-15)22-2-4-23-5-3-22/h6,8-10H,2-5H2,1H3,(H,18,19,20)

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Names and synonyms

1 names

Pfe-360

Work with 1-Methyl-4-(4-morpholin-4-yl-7H-pyrrolo(2,3-d)pyrimidin-5-yl)pyrrole-2-carbonitrile

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

Same formula

Torkinib1092351-67-1

Elsewhere

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