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

C31H28ClF3N4O4 — CID 164911044

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]-8-(difluoromethoxy)-3-methylquinoline-6-carboxamide
SMILESCc1cnc2c(OC(F)F)cc(C(=O)NC[C@](O)(c3cc4c(c(-c5cccc(F)c5Cl)n3)OC[C@]4(C)N)C3CC3)cc2c1
InChIInChI=1S/C31H28ClF3N4O4/c1-15-8-16-9-17(10-22(43-29(34)35)25(16)37-12-15)28(40)38-13-31(41,18-6-7-18)23-11-20-27(42-14-30(20,2)36)26(39-23)19-4-3-5-21(33)24(19)32/h3-5,8-12,18,29,41H,6-7,13-14,36H2,1-2H3,(H,38,40)/t30-,31+/m0/s1
InChIKeyVIAKMHFZUURHMA-IOWSJCHKSA-N
MW613.04 g/mol
LogP5.59
Rot. Bonds8

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]-8-(difluoromethoxy)-3-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]-8-(difluoromethoxy)-3-methylquinoline-6-carboxamide (PubChem CID 164911044) has the molecular formula C31H28ClF3N4O4 and a molecular weight of 613.04 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]-8-(difluoromethoxy)-3-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]-8-(difluoromethoxy)-3-methylquinoline-6-carboxamide
PubChem CID164911044
Molecular FormulaC31H28ClF3N4O4
Molecular Weight613.04 g/mol
Exact Mass612.18
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]-8-(difluoromethoxy)-3-methylquinoline-6-carboxamide
SMILESCc1cnc2c(OC(F)F)cc(C(=O)NC[C@](O)(c3cc4c(c(-c5cccc(F)c5Cl)n3)OC[C@]4(C)N)C3CC3)cc2c1
InChIInChI=1S/C31H28ClF3N4O4/c1-15-8-16-9-17(10-22(43-29(34)35)25(16)37-12-15)28(40)38-13-31(41,18-6-7-18)23-11-20-27(42-14-30(20,2)36)26(39-23)19-4-3-5-21(33)24(19)32/h3-5,8-12,18,29,41H,6-7,13-14,36H2,1-2H3,(H,38,40)/t30-,31+/m0/s1
InChIKeyVIAKMHFZUURHMA-IOWSJCHKSA-N
XLogP5.59
TPSA119.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.04
LogP ≤ 55.59
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]-8-(difluoromethoxy)-3-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]-3-bromo-8-methoxy-2-methylquinoline-6-carboxamide
CID 164911278
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-(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
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
5-[(1S)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropyl-1-hydroxyethyl]-7-(3,5-dichloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169241072
(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
(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
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
(3R)-7-(3-chloro-2,4-difluorophenyl)-5-[(1S)-1-cyclopropyl-2-[[2-cyclopropyl-7-[(2R)-2-hydroxypropoxy]indazole-5-carbonyl]amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170405994
(3R)-7-(4-chloro-2,3-difluorophenyl)-5-[(1R)-1-cyclopropyl-2-[[8-(difluoromethoxy)-3-methylquinoline-6-carbonyl]amino]ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164910456
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-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

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]-8-(difluoromethoxy)-3-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]-8-(difluoromethoxy)-3-methylquinoline-6-carboxamide (CID 164911044) 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]-8-(difluoromethoxy)-3-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]-8-(difluoromethoxy)-3-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]-8-(difluoromethoxy)-3-methylquinoline-6-carboxamide is Cc1cnc2c(OC(F)F)cc(C(=O)NC[C@](O)(c3cc4c(c(-c5cccc(F)c5Cl)n3)OC[C@]4(C)N)C3CC3)cc2c1.
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]-8-(difluoromethoxy)-3-methylquinoline-6-carboxamide?
The InChIKey is VIAKMHFZUURHMA-IOWSJCHKSA-N. The full InChI is InChI=1S/C31H28ClF3N4O4/c1-15-8-16-9-17(10-22(43-29(34)35)25(16)37-12-15)28(40)38-13-31(41,18-6-7-18)23-11-20-27(42-14-30(20,2)36)26(39-23)19-4-3-5-21(33)24(19)32/h3-5,8-12,18,29,41H,6-7,13-14,36H2,1-2H3,(H,38,40)/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]-8-(difluoromethoxy)-3-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]-8-(difluoromethoxy)-3-methylquinoline-6-carboxamide has a molecular weight of 613.04 g/mol, XLogP of 5.59, 8 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]-8-(difluoromethoxy)-3-methylquinoline-6-carboxamide is sourced from PubChem (CID 164911044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).