(3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C31H29ClF3N5O6 — CID 164911535

IUPAC(3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(-c2nc([C@@](O)(CNC(=O)c3cc(OC)c4nn(C5CC5)cc4c3)C(F)(F)F)cc3c2OC[C@]3(C)C(N)=O)cc1Cl
InChIInChI=1S/C31H29ClF3N5O6/c1-29(28(36)42)14-46-26-19(29)11-23(38-25(26)15-4-7-21(44-2)20(32)9-15)30(43,31(33,34)35)13-37-27(41)16-8-17-12-40(18-5-6-18)39-24(17)22(10-16)45-3/h4,7-12,18,43H,5-6,13-14H2,1-3H3,(H2,36,42)(H,37,41)/t29-,30-/m0/s1
InChIKeyULAVXTNPHYRCEZ-KYJUHHDHSA-N
MW660.05 g/mol
LogP4.42
Rot. Bonds9

About (3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 164911535) has the molecular formula C31H29ClF3N5O6 and a molecular weight of 660.05 g/mol. Its IUPAC name is (3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID164911535
Molecular FormulaC31H29ClF3N5O6
Molecular Weight660.05 g/mol
Exact Mass659.18
IUPAC Name(3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(-c2nc([C@@](O)(CNC(=O)c3cc(OC)c4nn(C5CC5)cc4c3)C(F)(F)F)cc3c2OC[C@]3(C)C(N)=O)cc1Cl
InChIInChI=1S/C31H29ClF3N5O6/c1-29(28(36)42)14-46-26-19(29)11-23(38-25(26)15-4-7-21(44-2)20(32)9-15)30(43,31(33,34)35)13-37-27(41)16-8-17-12-40(18-5-6-18)39-24(17)22(10-16)45-3/h4,7-12,18,43H,5-6,13-14H2,1-3H3,(H2,36,42)(H,37,41)/t29-,30-/m0/s1
InChIKeyULAVXTNPHYRCEZ-KYJUHHDHSA-N
XLogP4.42
TPSA150.82 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500660.05
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

(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-(1-benzothiophen-6-yl)-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 170406095
(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)-7-(2,2-difluoro-1,3-benzodioxol-5-yl)-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 164910664
(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-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)-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-(4-fluorophenyl)-3-methyl-5-[(2S)-1,1,1-trifluoro-3-[[3-fluoro-2-(hydroxymethyl)-8-methoxyquinoline-6-carbonyl]amino]-2-hydroxypropan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 166783333
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1R)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(2H-triazol-4-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170407171
5-[3-[[3-(difluoromethyl)-8-methoxyquinoline-6-carbonyl]amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 156873001
(3R)-7-(5-chloro-2,4-difluorophenyl)-5-[(1S)-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxy-1-(1-methylimidazol-2-yl)ethyl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170408509

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 164911535) is (3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1ccc(-c2nc([C@@](O)(CNC(=O)c3cc(OC)c4nn(C5CC5)cc4c3)C(F)(F)F)cc3c2OC[C@]3(C)C(N)=O)cc1Cl.
What is the InChIKey of (3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is ULAVXTNPHYRCEZ-KYJUHHDHSA-N. The full InChI is InChI=1S/C31H29ClF3N5O6/c1-29(28(36)42)14-46-26-19(29)11-23(38-25(26)15-4-7-21(44-2)20(32)9-15)30(43,31(33,34)35)13-37-27(41)16-8-17-12-40(18-5-6-18)39-24(17)22(10-16)45-3/h4,7-12,18,43H,5-6,13-14H2,1-3H3,(H2,36,42)(H,37,41)/t29-,30-/m0/s1.
What are the key properties of (3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 660.05 g/mol, XLogP of 4.42, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(3-chloro-4-methoxyphenyl)-5-[(2S)-3-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 164911535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).