N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide

C31H29BrClFN4O4 — CID 164911278

IUPACN-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4cccc(F)c4Cl)n2)OC[C@]3(C)N)C2CC2)cc2cc(Br)c(C)nc12
InChIInChI=1S/C31H29BrClFN4O4/c1-15-21(32)10-16-9-17(11-23(41-3)26(16)37-15)29(39)36-13-31(40,18-7-8-18)24-12-20-28(42-14-30(20,2)35)27(38-24)19-5-4-6-22(34)25(19)33/h4-6,9-12,18,40H,7-8,13-14,35H2,1-3H3,(H,36,39)/t30-,31+/m0/s1
InChIKeyQQEQNHDBNLBDOQ-IOWSJCHKSA-N
MW655.95 g/mol
LogP5.76
Rot. Bonds7

About N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide

N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide (PubChem CID 164911278) has the molecular formula C31H29BrClFN4O4 and a molecular weight of 655.95 g/mol. Its IUPAC name is N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide
PubChem CID164911278
Molecular FormulaC31H29BrClFN4O4
Molecular Weight655.95 g/mol
Exact Mass654.10
IUPAC NameN-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4cccc(F)c4Cl)n2)OC[C@]3(C)N)C2CC2)cc2cc(Br)c(C)nc12
InChIInChI=1S/C31H29BrClFN4O4/c1-15-21(32)10-16-9-17(11-23(41-3)26(16)37-15)29(39)36-13-31(40,18-7-8-18)24-12-20-28(42-14-30(20,2)35)27(38-24)19-5-4-6-22(34)25(19)33/h4-6,9-12,18,40H,7-8,13-14,35H2,1-3H3,(H,36,39)/t30-,31+/m0/s1
InChIKeyQQEQNHDBNLBDOQ-IOWSJCHKSA-N
XLogP5.76
TPSA119.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.95
LogP ≤ 55.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-(difluoromethoxy)-3-methylquinoline-6-carboxamide
CID 164911044
4-amino-N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-(cyclopropyliminomethyl)-5-methoxybenzamide
CID 164910558
N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-bromo-8-methoxyquinoline-6-carboxamide
CID 169241490
N-[(2S)-2-[(3R)-3-amino-7-(5-chloro-2,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-(1-fluorocyclopropyl)-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide
CID 164911167
N-[(2S)-2-[(3R)-3-amino-7-(3,4-dihydroxyphenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-(difluoromethoxy)-2-methylquinoline-6-carboxamide
CID 164911064
(3R)-7-(3-bromo-2-fluorophenyl)-5-[(2S)-1-[(3-chloro-8-methoxy-2-methylquinoline-6-carbonyl)amino]-2-cyclopropyl-3-oxopropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169241382
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-4-cyclopropyloxy-3-methoxybenzamide
CID 167023976
N-[2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-8-methoxyquinoline-6-carboxamide
CID 166680706
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-1-hydroxy-2-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406545
(3R)-7-(5-chloro-2-fluoro-3-methylphenyl)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406084
(3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluoro-2-methoxyphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406252
(3R)-5-[(2R)-2-cyclopropyl-1-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-7-(3,4-difluoro-2-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169241416

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide?
The IUPAC name of N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide (CID 164911278) is N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide?
The canonical SMILES for N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide is COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4cccc(F)c4Cl)n2)OC[C@]3(C)N)C2CC2)cc2cc(Br)c(C)nc12.
What is the InChIKey of N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide?
The InChIKey is QQEQNHDBNLBDOQ-IOWSJCHKSA-N. The full InChI is InChI=1S/C31H29BrClFN4O4/c1-15-21(32)10-16-9-17(11-23(41-3)26(16)37-15)29(39)36-13-31(40,18-7-8-18)24-12-20-28(42-14-30(20,2)35)27(38-24)19-5-4-6-22(34)25(19)33/h4-6,9-12,18,40H,7-8,13-14,35H2,1-3H3,(H,36,39)/t30-,31+/m0/s1.
What are the key properties of N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide?
N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide has a molecular weight of 655.95 g/mol, XLogP of 5.76, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[(3R)-3-amino-7-(2-chloro-3-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide is sourced from PubChem (CID 164911278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).