(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

C31H25ClF6N4O4 — CID 166783317

IUPAC(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
SMILESCNC(=O)[C@@]1(C)COc2c1cc(C(CNC(=O)c1cc(OC)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H25ClF6N4O4/c1-29(28(44)39-2)14-46-26-20(29)11-22(42-25(26)15-4-6-18(7-5-15)30(33,34)35)21(31(36,37)38)13-41-27(43)17-8-16-9-19(32)12-40-24(16)23(10-17)45-3/h4-12,21H,13-14H2,1-3H3,(H,39,44)(H,41,43)/t21?,29-/m0/s1
InChIKeyDHDBGVPYVWHWKS-TXMUIZFDSA-N
MW667.01 g/mol
LogP6.45
Rot. Bonds7

About (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

(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 (PubChem CID 166783317) has the molecular formula C31H25ClF6N4O4 and a molecular weight of 667.01 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166783317
Molecular FormulaC31H25ClF6N4O4
Molecular Weight667.01 g/mol
Exact Mass666.15
IUPAC Name(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
SMILESCNC(=O)[C@@]1(C)COc2c1cc(C(CNC(=O)c1cc(OC)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C31H25ClF6N4O4/c1-29(28(44)39-2)14-46-26-20(29)11-22(42-25(26)15-4-6-18(7-5-15)30(33,34)35)21(31(36,37)38)13-41-27(43)17-8-16-9-19(32)12-40-24(16)23(10-17)45-3/h4-12,21H,13-14H2,1-3H3,(H,39,44)(H,41,43)/t21?,29-/m0/s1
InChIKeyDHDBGVPYVWHWKS-TXMUIZFDSA-N
XLogP6.45
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.01
LogP ≤ 56.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

(3R)-5-[3-[(3-chloro-8-methoxyquinoline-6-carbonyl)amino]-1,1,1-trifluoro-2-hydroxypropan-2-yl]-N,3-dimethyl-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 166783203
N-[2-[3,3-bis(fluoromethyl)-7-[4-(trifluoromethyl)phenyl]-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylcinnoline-6-carboxamide
CID 156872835
(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
N-[2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-methoxy-3-methylquinoline-6-carboxamide
CID 156872961
(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
3-chloro-N-[2-[3-cyano-3-(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoropropyl]-8-cyclopropyloxyquinoline-6-carboxamide
CID 156872656
(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
3-(difluoromethyl)-8-methoxy-N-[3,3,3-trifluoro-2-[3-(fluoromethyl)-7-(4-fluorophenyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propyl]quinoline-6-carboxamide
CID 169241599
(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)-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)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-3-(1,3-thiazole-2-carbonylamino)propan-2-yl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169241134
(3R)-5-[3-[[4-amino-3-(cyclopropyliminomethyl)-5-methoxybenzoyl]amino]-1,1,1-trifluoropropan-2-yl]-7-(3-cyclopropylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 169241013

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CNC(=O)[C@@]1(C)COc2c1cc(C(CNC(=O)c1cc(OC)c3ncc(Cl)cc3c1)C(F)(F)F)nc2-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (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?
The InChIKey is DHDBGVPYVWHWKS-TXMUIZFDSA-N. The full InChI is InChI=1S/C31H25ClF6N4O4/c1-29(28(44)39-2)14-46-26-20(29)11-22(42-25(26)15-4-6-18(7-5-15)30(33,34)35)21(31(36,37)38)13-41-27(43)17-8-16-9-19(32)12-40-24(16)23(10-17)45-3/h4-12,21H,13-14H2,1-3H3,(H,39,44)(H,41,43)/t21?,29-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 667.01 g/mol, XLogP of 6.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166783317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).