Riociguat

C₂₀H₁₉FN₈O₂CAS 625115-55-1422.42 g/mol

Open in Covalent MOL file

Aryl halide Carbamate Primary amine

Properties

Molecular formula: C₂₀H₁₉FN₈O₂
Molar mass: 422.42 g/mol
Exact mass: 422.1615 Da
logP: 2.27Crippen estimate
Polar surface area: 138.8 Å²
H-bond donors / acceptors: 3 / 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

625115-55-1

SMILES

COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c1=N

InChIKey

WXXSNCNJFUAIDG-UHFFFAOYSA-N

InChI

InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

Carbamic acid, N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-methyl-, methyl ester
Carbamic acid, [4,6-diamino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]methyl-, methyl ester
BAY 632521
BAY 63-2521
Methyl [4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]methylcarbamate
Adempas
Methyl N-[4,6-diamino-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5-pyrimidinyl]-N-(methyl)carbamate

Work with Riociguat

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

Vericiguat1350653-20-154 % similar 1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-B]pyridine-3-carbonitrile256376-65-539 % similar Ethyl 5-amino-1-[(2-fluorophenyl)methyl]-1H-pyrazole-3-carboxylate256504-39-932 % similar Methyl 2-fluorophenylacetate57486-67-630 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook