(3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C31H27BrClFN4O3 — CID 164911396

IUPAC(3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCc1cnc2c(Cl)cc(C(=O)NC[C@H](c3cc4c(c(-c5cccc(Br)c5F)n3)OC[C@]4(C)C(N)=O)C3CC3)cc2c1
InChIInChI=1S/C31H27BrClFN4O3/c1-15-8-17-9-18(10-23(33)26(17)36-12-15)29(39)37-13-20(16-6-7-16)24-11-21-28(41-14-31(21,2)30(35)40)27(38-24)19-4-3-5-22(32)25(19)34/h3-5,8-12,16,20H,6-7,13-14H2,1-2H3,(H2,35,40)(H,37,39)/t20-,31-/m0/s1
InChIKeySXNVHVPHPCBWMT-GEFUHLBYSA-N
MW637.94 g/mol
LogP6.22
Rot. Bonds7

About (3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 164911396) has the molecular formula C31H27BrClFN4O3 and a molecular weight of 637.94 g/mol. Its IUPAC name is (3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID164911396
Molecular FormulaC31H27BrClFN4O3
Molecular Weight637.94 g/mol
Exact Mass636.09
IUPAC Name(3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCc1cnc2c(Cl)cc(C(=O)NC[C@H](c3cc4c(c(-c5cccc(Br)c5F)n3)OC[C@]4(C)C(N)=O)C3CC3)cc2c1
InChIInChI=1S/C31H27BrClFN4O3/c1-15-8-17-9-18(10-23(33)26(17)36-12-15)29(39)37-13-20(16-6-7-16)24-11-21-28(41-14-31(21,2)30(35)40)27(38-24)19-4-3-5-22(32)25(19)34/h3-5,8-12,16,20H,6-7,13-14H2,1-2H3,(H2,35,40)(H,37,39)/t20-,31-/m0/s1
InChIKeySXNVHVPHPCBWMT-GEFUHLBYSA-N
XLogP6.22
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.94
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropylisoquinolin-2-ium-7-carbonyl)amino]ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164910663
(3R)-7-(4-chloro-3-fluorophenyl)-5-[(1R)-2-[(3-chloro-8-methoxy-2-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164910717
(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
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
3-bromo-N-[2-[7-(5-chloro-2,4-difluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxyquinoline-6-carboxamide
CID 164910918
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(2R)-1-[(3-chloro-8-methoxy-2-methylquinoline-6-carbonyl)amino]-3-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164910575
(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)-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)-5-[3-[(7-bromo-2-cyclopropyl-3H-benzimidazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164911510
(3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169241039
(3S)-3-(fluoromethyl)-7-(4-fluorophenyl)-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylquinoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164911200

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 164911396) is (3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is Cc1cnc2c(Cl)cc(C(=O)NC[C@H](c3cc4c(c(-c5cccc(Br)c5F)n3)OC[C@]4(C)C(N)=O)C3CC3)cc2c1.
What is the InChIKey of (3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is SXNVHVPHPCBWMT-GEFUHLBYSA-N. The full InChI is InChI=1S/C31H27BrClFN4O3/c1-15-8-17-9-18(10-23(33)26(17)36-12-15)29(39)37-13-20(16-6-7-16)24-11-21-28(41-14-31(21,2)30(35)40)27(38-24)19-4-3-5-22(32)25(19)34/h3-5,8-12,16,20H,6-7,13-14H2,1-2H3,(H2,35,40)(H,37,39)/t20-,31-/m0/s1.
What are the key properties of (3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 637.94 g/mol, XLogP of 6.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(3-bromo-2-fluorophenyl)-5-[(1R)-2-[(8-chloro-3-methylquinoline-6-carbonyl)amino]-1-cyclopropylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164911396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).