8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide

C32H27F4N5O4 — CID 164740597

IUPAC8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
SMILESCOc1cc(C(N)=O)cc2ccc(C[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)Cc3ncc[nH]3)C(F)(F)F)nc12
InChIInChI=1S/C32H27F4N5O4/c1-30(15-25-38-9-10-39-25)16-45-28-22(30)13-24(41-27(28)17-3-6-20(33)7-4-17)31(43,32(34,35)36)14-21-8-5-18-11-19(29(37)42)12-23(44-2)26(18)40-21/h3-13,43H,14-16H2,1-2H3,(H2,37,42)(H,38,39)/t30-,31-/m0/s1
InChIKeyYALFEGIATJSSGG-CONSDPRKSA-N
MW621.59 g/mol
LogP5.15
Rot. Bonds8

About 8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide

8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide (PubChem CID 164740597) has the molecular formula C32H27F4N5O4 and a molecular weight of 621.59 g/mol. Its IUPAC name is 8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
PubChem CID164740597
Molecular FormulaC32H27F4N5O4
Molecular Weight621.59 g/mol
Exact Mass621.20
IUPAC Name8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
SMILESCOc1cc(C(N)=O)cc2ccc(C[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)Cc3ncc[nH]3)C(F)(F)F)nc12
InChIInChI=1S/C32H27F4N5O4/c1-30(15-25-38-9-10-39-25)16-45-28-22(30)13-24(41-27(28)17-3-6-20(33)7-4-17)31(43,32(34,35)36)14-21-8-5-18-11-19(29(37)42)12-23(44-2)26(18)40-21/h3-13,43H,14-16H2,1-2H3,(H2,37,42)(H,38,39)/t30-,31-/m0/s1
InChIKeyYALFEGIATJSSGG-CONSDPRKSA-N
XLogP5.15
TPSA136.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.59
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
The IUPAC name of 8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide (CID 164740597) is 8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide.
What is the SMILES notation for 8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
The canonical SMILES for 8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide is COc1cc(C(N)=O)cc2ccc(C[C@](O)(c3cc4c(c(-c5ccc(F)cc5)n3)OC[C@]4(C)Cc3ncc[nH]3)C(F)(F)F)nc12.
What is the InChIKey of 8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
The InChIKey is YALFEGIATJSSGG-CONSDPRKSA-N. The full InChI is InChI=1S/C32H27F4N5O4/c1-30(15-25-38-9-10-39-25)16-45-28-22(30)13-24(41-27(28)17-3-6-20(33)7-4-17)31(43,32(34,35)36)14-21-8-5-18-11-19(29(37)42)12-23(44-2)26(18)40-21/h3-13,43H,14-16H2,1-2H3,(H2,37,42)(H,38,39)/t30-,31-/m0/s1.
What are the key properties of 8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide has a molecular weight of 621.59 g/mol, XLogP of 5.15, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(1H-imidazol-2-ylmethyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide is sourced from PubChem (CID 164740597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).