(4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one

C35H32FN5O4 — CID 164954352

IUPAC(4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one
SMILESC[C@]1(n2ccnn2)COc2c1cc([C@@](O)(CCC(=O)c1cc(OC3CC3)c3ncccc3c1)C1CC1)nc2-c1ccc(F)cc1
InChIInChI=1S/C35H32FN5O4/c1-34(41-16-15-38-40-41)20-44-33-27(34)19-30(39-32(33)21-4-8-25(36)9-5-21)35(43,24-6-7-24)13-12-28(42)23-17-22-3-2-14-37-31(22)29(18-23)45-26-10-11-26/h2-5,8-9,14-19,24,26,43H,6-7,10-13,20H2,1H3/t34-,35+/m0/s1
InChIKeyAYUQNCLMWXZPKO-OIDHKYIRSA-N
MW605.67 g/mol
LogP5.99
Rot. Bonds10

About (4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one

(4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one (PubChem CID 164954352) has the molecular formula C35H32FN5O4 and a molecular weight of 605.67 g/mol. Its IUPAC name is (4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one.

Molecular Properties

Compound Name(4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one
PubChem CID164954352
Molecular FormulaC35H32FN5O4
Molecular Weight605.67 g/mol
Exact Mass605.24
IUPAC Name(4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one
SMILESC[C@]1(n2ccnn2)COc2c1cc([C@@](O)(CCC(=O)c1cc(OC3CC3)c3ncccc3c1)C1CC1)nc2-c1ccc(F)cc1
InChIInChI=1S/C35H32FN5O4/c1-34(41-16-15-38-40-41)20-44-33-27(34)19-30(39-32(33)21-4-8-25(36)9-5-21)35(43,24-6-7-24)13-12-28(42)23-17-22-3-2-14-37-31(22)29(18-23)45-26-10-11-26/h2-5,8-9,14-19,24,26,43H,6-7,10-13,20H2,1H3/t34-,35+/m0/s1
InChIKeyAYUQNCLMWXZPKO-OIDHKYIRSA-N
XLogP5.99
TPSA112.25 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.67
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one with MolForge

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Related Compounds

US11420976, Example 16
CID 156809888
US11420976, Example 11
CID 156809935
US11420976, Example 6
CID 156809951
US11420976, Example 5
CID 156809961
US11420976, Example 55c
CID 156809965
US11420976, Example 10
CID 163633832
US11420976, Example 17
CID 165436685
US11420976, Example 50
CID 165436711
US11420976, Example 55
CID 165436713
US11420976, Example 59e
CID 165436721
US11420976, Example 66
CID 165436723
1-[5-Fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-[4-(8-methoxyquinolin-6-yl)triazol-1-yl]ethanone
CID 170435111

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one?
The IUPAC name of (4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one (CID 164954352) is (4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one.
What is the SMILES notation for (4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one?
The canonical SMILES for (4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one is C[C@]1(n2ccnn2)COc2c1cc([C@@](O)(CCC(=O)c1cc(OC3CC3)c3ncccc3c1)C1CC1)nc2-c1ccc(F)cc1.
What is the InChIKey of (4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one?
The InChIKey is AYUQNCLMWXZPKO-OIDHKYIRSA-N. The full InChI is InChI=1S/C35H32FN5O4/c1-34(41-16-15-38-40-41)20-44-33-27(34)19-30(39-32(33)21-4-8-25(36)9-5-21)35(43,24-6-7-24)13-12-28(42)23-17-22-3-2-14-37-31(22)29(18-23)45-26-10-11-26/h2-5,8-9,14-19,24,26,43H,6-7,10-13,20H2,1H3/t34-,35+/m0/s1.
What are the key properties of (4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one?
(4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one has a molecular weight of 605.67 g/mol, XLogP of 5.99, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclopropyl-1-(8-cyclopropyloxyquinolin-6-yl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one is sourced from PubChem (CID 164954352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).