(3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C33H27ClF3N5O5 — CID 170406855

IUPAC(3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@@](O)(c2ccccc2)c2cc3c(c(-c4cc(Cl)ccc4F)n2)OC[C@]3(C)C(N)=O)cc2cn(C(F)F)nc12
InChIInChI=1S/C33H27ClF3N5O5/c1-32(30(38)44)16-47-28-22(32)13-25(40-27(28)21-12-20(34)8-9-23(21)35)33(45,19-6-4-3-5-7-19)15-39-29(43)17-10-18-14-42(31(36)37)41-26(18)24(11-17)46-2/h3-14,31,45H,15-16H2,1-2H3,(H2,38,44)(H,39,43)/t32-,33+/m0/s1
InChIKeyCVPCYOAWEFFCJK-JHOUSYSJSA-N
MW666.06 g/mol
LogP5.10
Rot. Bonds9

About (3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 170406855) has the molecular formula C33H27ClF3N5O5 and a molecular weight of 666.06 g/mol. Its IUPAC name is (3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID170406855
Molecular FormulaC33H27ClF3N5O5
Molecular Weight666.06 g/mol
Exact Mass665.17
IUPAC Name(3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)NC[C@@](O)(c2ccccc2)c2cc3c(c(-c4cc(Cl)ccc4F)n2)OC[C@]3(C)C(N)=O)cc2cn(C(F)F)nc12
InChIInChI=1S/C33H27ClF3N5O5/c1-32(30(38)44)16-47-28-22(32)13-25(40-27(28)21-12-20(34)8-9-23(21)35)33(45,19-6-4-3-5-7-19)15-39-29(43)17-10-18-14-42(31(36)37)41-26(18)24(11-17)46-2/h3-14,31,45H,15-16H2,1-2H3,(H2,38,44)(H,39,43)/t32-,33+/m0/s1
InChIKeyCVPCYOAWEFFCJK-JHOUSYSJSA-N
XLogP5.10
TPSA141.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.06
LogP ≤ 55.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-7-(2,4,5-trifluorophenyl)-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170407114
(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-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-phenylethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170407532
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406709
(3R)-7-(4-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)-5-[(1S)-2-[[2-(1-fluorocyclopropyl)-7-methoxyindazole-5-carbonyl]amino]-1-(4-fluorophenyl)-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170407559
(3R)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-(2,6-difluoro-4-pyridinyl)-1-hydroxyethyl]-7-(2,3-dichlorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170409095
(3R)-5-[(1S)-2-[[4-amino-3-[(E)-(1-fluorocyclopropyl)iminomethyl]-5-methoxybenzoyl]amino]-1-hydroxy-1-phenylethyl]-7-(2,4-difluoro-5-methoxyphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 176826506
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[1-(5-chlorothiophen-2-yl)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170408567
(3R)-7-(5-chloro-6-cyano-3-pyridinyl)-5-[(2S)-3-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 164911469
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-1,3-benzoxazole-6-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170407341
(3R)-5-[(1S)-2-[[4-amino-3-[(E)-difluoromethyliminomethyl]-5-methoxybenzoyl]amino]-1-(3-fluorophenyl)-1-hydroxyethyl]-7-(2,3-dichloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 176826493
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(2S)-1-[(8-methoxy-2-methylquinoline-6-carbonyl)amino]-3-oxo-2-phenylpropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169233907

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 170406855) is (3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@@](O)(c2ccccc2)c2cc3c(c(-c4cc(Cl)ccc4F)n2)OC[C@]3(C)C(N)=O)cc2cn(C(F)F)nc12.
What is the InChIKey of (3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is CVPCYOAWEFFCJK-JHOUSYSJSA-N. The full InChI is InChI=1S/C33H27ClF3N5O5/c1-32(30(38)44)16-47-28-22(32)13-25(40-27(28)21-12-20(34)8-9-23(21)35)33(45,19-6-4-3-5-7-19)15-39-29(43)17-10-18-14-42(31(36)37)41-26(18)24(11-17)46-2/h3-14,31,45H,15-16H2,1-2H3,(H2,38,44)(H,39,43)/t32-,33+/m0/s1.
What are the key properties of (3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 666.06 g/mol, XLogP of 5.10, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(5-chloro-2-fluorophenyl)-5-[(1S)-2-[[2-(difluoromethyl)-7-methoxyindazole-5-carbonyl]amino]-1-hydroxy-1-phenylethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 170406855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).