(3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C35H34FN3O5 — CID 167555517

IUPAC(3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)C2CC2)cc2cc(C3CC3)cnc12
InChIInChI=1S/C35H34FN3O5/c1-34(33(37)41)18-44-32-26(34)16-29(39-31(32)20-5-9-25(36)10-6-20)35(42,24-7-8-24)12-11-27(40)21-13-22-14-23(19-3-4-19)17-38-30(22)28(15-21)43-2/h5-6,9-10,13-17,19,24,42H,3-4,7-8,11-12,18H2,1-2H3,(H2,37,41)/t34-,35+/m0/s1
InChIKeyCYPVXLPOQVKKGR-OIDHKYIRSA-N
MW595.67 g/mol
LogP5.72
Rot. Bonds10

About (3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167555517) has the molecular formula C35H34FN3O5 and a molecular weight of 595.67 g/mol. Its IUPAC name is (3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
PubChem CID167555517
Molecular FormulaC35H34FN3O5
Molecular Weight595.67 g/mol
Exact Mass595.25
IUPAC Name(3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)C2CC2)cc2cc(C3CC3)cnc12
InChIInChI=1S/C35H34FN3O5/c1-34(33(37)41)18-44-32-26(34)16-29(39-31(32)20-5-9-25(36)10-6-20)35(42,24-7-8-24)12-11-27(40)21-13-22-14-23(19-3-4-19)17-38-30(22)28(15-21)43-2/h5-6,9-10,13-17,19,24,42H,3-4,7-8,11-12,18H2,1-2H3,(H2,37,41)/t34-,35+/m0/s1
InChIKeyCYPVXLPOQVKKGR-OIDHKYIRSA-N
XLogP5.72
TPSA124.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.67
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167620517
(3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167621611
(4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one
CID 167626501
(3R)-5-[(2S)-5-[8-(2-amino-2-oxoethoxy)-3-ethylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167665212
(3R)-5-[(2S)-5-[8-(cyclopropanecarbonylamino)-3-methylquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167605785
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[8-(2-hydroxy-2-methylpropoxy)quinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167588915
[2-[(Z)-2-amino-3,3-difluoroprop-1-enyl]-4-[[(2S)-2-[(3R)-3-carbamoyl-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]carbamoyl]-6-methoxyphenyl]azanium
CID 164911017
(3R)-5-[(2S)-5-(4-cyclopropyloxy-3-fluorophenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167653808
(3R)-5-[(2S)-5-[8-(1-amino-1-oxopropan-2-yl)oxyquinolin-6-yl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167580517
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)-5-[(2S)-5-(3-cyclopropyloxy-4-pyridazin-4-ylphenyl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167646813
(3R)-5-[(2S)-5-[3-cyclopropyloxy-4-(2-methylpyrimidin-5-yl)phenyl]-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167673726

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The IUPAC name of (3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167555517) is (3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for (3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for (3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(N)=O)C2CC2)cc2cc(C3CC3)cnc12.
What is the InChIKey of (3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
The InChIKey is CYPVXLPOQVKKGR-OIDHKYIRSA-N. The full InChI is InChI=1S/C35H34FN3O5/c1-34(33(37)41)18-44-32-26(34)16-29(39-31(32)20-5-9-25(36)10-6-20)35(42,24-7-8-24)12-11-27(40)21-13-22-14-23(19-3-4-19)17-38-30(22)28(15-21)43-2/h5-6,9-10,13-17,19,24,42H,3-4,7-8,11-12,18H2,1-2H3,(H2,37,41)/t34-,35+/m0/s1.
What are the key properties of (3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?
(3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 595.67 g/mol, XLogP of 5.72, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167555517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).