chempirical

Vericiguat

C19H16F2N8O2CAS 1350653-20-1426.39 g/mol

Open in Covalent MOL file
OONHH2NNNNFNFNHNH
Aryl halidePrimary amine

Properties

Molecular formula
C19H16F2N8O2
Molar mass
426.39 g/mol
Exact mass
426.1364 Da
logP
2.40Crippen estimate
Polar surface area
151.1 Ų
H-bond donors / acceptors
4 / 7
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1350653-20-1
SMILES
COC(O)=Nc1c(N)nc(-c2nn(Cc3ccccc3F)c3ncc(F)cc23)[nH]c1=N
InChIKey
QZFHIXARHDBPBY-UHFFFAOYSA-N
InChI
InChI=1S/C19H16F2N8O2/c1-31-19(30)25-14-15(22)26-17(27-16(14)23)13-11-6-10(20)7-24-18(11)29(28-13)8-9-4-2-3-5-12(9)21/h2-7H,8H2,1H3,(H,25,30)(H4,22,23,26,27)

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Names and synonyms

6 names
  • Carbamic acid, N-[4,6-diamino-2-[5-fluoro-1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-, methyl ester
  • Methyl [4,6-diamino-2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
  • Methyl N-[4,6-diamino-2-[5-fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]carbamate
  • BAY 1021189
  • MK 1242
  • Verquvo

Work with Vericiguat

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

Riociguat625115-55-154 % similar 1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-B]pyridine-3-carbonitrile256376-65-531 % similar Ethyl 5-amino-1-[(2-fluorophenyl)methyl]-1H-pyrazole-3-carboxylate256504-39-930 % similar

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

Elsewhere

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