(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

C32H29Cl2FN4O4 — CID 164910717

IUPAC(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
SMILESCOc1cc(C(=O)NC[C@H](c2cc3c(c(-c4ccc(Cl)c(F)c4)n2)OC[C@]3(C)C(N)=O)C2CC2)cc2cc(Cl)c(C)nc12
InChIInChI=1S/C32H29Cl2FN4O4/c1-15-23(34)9-18-8-19(11-26(42-3)27(18)38-15)30(40)37-13-20(16-4-5-16)25-12-21-29(43-14-32(21,2)31(36)41)28(39-25)17-6-7-22(33)24(35)10-17/h6-12,16,20H,4-5,13-14H2,1-3H3,(H2,36,41)(H,37,40)/t20-,32-/m0/s1
InChIKeyJOEDCOBWJDACFE-WEZXKFLESA-N
MW623.51 g/mol
LogP6.12
Rot. Bonds8

About (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

(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 (PubChem CID 164910717) has the molecular formula C32H29Cl2FN4O4 and a molecular weight of 623.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID164910717
Molecular FormulaC32H29Cl2FN4O4
Molecular Weight623.51 g/mol
Exact Mass622.15
IUPAC Name(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
SMILESCOc1cc(C(=O)NC[C@H](c2cc3c(c(-c4ccc(Cl)c(F)c4)n2)OC[C@]3(C)C(N)=O)C2CC2)cc2cc(Cl)c(C)nc12
InChIInChI=1S/C32H29Cl2FN4O4/c1-15-23(34)9-18-8-19(11-26(42-3)27(18)38-15)30(40)37-13-20(16-4-5-16)25-12-21-29(43-14-32(21,2)31(36)41)28(39-25)17-6-7-22(33)24(35)10-17/h6-12,16,20H,4-5,13-14H2,1-3H3,(H2,36,41)(H,37,40)/t20-,32-/m0/s1
InChIKeyJOEDCOBWJDACFE-WEZXKFLESA-N
XLogP6.12
TPSA116.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.51
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

3-chloro-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide;formaldehyde;methanamine
CID 164910750
(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)-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
(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
3-chloro-N-[(2R)-2-[6-(5-chloro-2,4-difluorophenyl)-5-fluoro-2-pyridinyl]-2-cyclopropylethyl]-8-methoxy-2-methylquinoline-6-carboxamide
CID 169264875
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-(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
(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
4-amino-N-[2-[7-(4-chloro-3-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]-2-cyclopropylethyl]-3-[(E)-difluoromethyliminomethyl]-5-methoxybenzamide;formaldehyde;methanamine
CID 169241223
(3R)-5-[(2R)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-7-(2,3-difluoro-6-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164910666
(3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoropropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 166783317
(3R)-N-(2-fluoroethyl)-7-(4-fluorophenyl)-3-methyl-5-[1,1,1-trifluoro-3-[(8-methoxy-3-methylcinnoline-6-carbonyl)amino]propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 166782847

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(C(=O)NC[C@H](c2cc3c(c(-c4ccc(Cl)c(F)c4)n2)OC[C@]3(C)C(N)=O)C2CC2)cc2cc(Cl)c(C)nc12.
What is the InChIKey of (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?
The InChIKey is JOEDCOBWJDACFE-WEZXKFLESA-N. The full InChI is InChI=1S/C32H29Cl2FN4O4/c1-15-23(34)9-18-8-19(11-26(42-3)27(18)38-15)30(40)37-13-20(16-4-5-16)25-12-21-29(43-14-32(21,2)31(36)41)28(39-25)17-6-7-22(33)24(35)10-17/h6-12,16,20H,4-5,13-14H2,1-3H3,(H2,36,41)(H,37,40)/t20-,32-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 623.51 g/mol, XLogP of 6.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 164910717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).