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

C30H23F4N5O3 — CID 164740617

IUPAC2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
SMILESC[C@]1(n2ccnc2)COc2c1cc([C@@](O)(Cc1ccc3cc(C(N)=O)ccc3n1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C30H23F4N5O3/c1-28(39-11-10-36-16-39)15-42-26-22(28)13-24(38-25(26)17-2-6-20(31)7-3-17)29(41,30(32,33)34)14-21-8-4-18-12-19(27(35)40)5-9-23(18)37-21/h2-13,16,41H,14-15H2,1H3,(H2,35,40)/t28-,29-/m0/s1
InChIKeyZNMLDZXJWSGXFT-VMPREFPWSA-N
MW577.54 g/mol
LogP4.88
Rot. Bonds6

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

2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide (PubChem CID 164740617) has the molecular formula C30H23F4N5O3 and a molecular weight of 577.54 g/mol. Its IUPAC name is 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide.

Molecular Properties

Compound Name2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
PubChem CID164740617
Molecular FormulaC30H23F4N5O3
Molecular Weight577.54 g/mol
Exact Mass577.17
IUPAC Name2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide
SMILESC[C@]1(n2ccnc2)COc2c1cc([C@@](O)(Cc1ccc3cc(C(N)=O)ccc3n1)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C30H23F4N5O3/c1-28(39-11-10-36-16-39)15-42-26-22(28)13-24(38-25(26)17-2-6-20(31)7-3-17)29(41,30(32,33)34)14-21-8-4-18-12-19(27(35)40)5-9-23(18)37-21/h2-13,16,41H,14-15H2,1H3,(H2,35,40)/t28-,29-/m0/s1
InChIKeyZNMLDZXJWSGXFT-VMPREFPWSA-N
XLogP4.88
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.54
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

[4-Methoxy-3-phenyl-2-(trifluoromethyl)quinolin-6-yl]-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanol
CID 86716147
US10201546, Example 96
CID 118022949
3-(4-fluoro-3-methoxyphenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-2-propan-2-yloxyquinoxaline-6-carboxamide
CID 118463617
US11420976, Example 6
CID 156809951
US11420976, Example 5
CID 156809961
US11420976, Example 17
CID 165436685
N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-3H-benzimidazole-5-carboxamide
CID 90039813
2-(furan-2-yl)-6-(1-methylbenzimidazol-5-yl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 60202460
6-[Hydroxy-(3-methylimidazol-4-yl)-[6-(trifluoromethyl)pyridin-3-yl]methyl]-3-phenoxyquinoline-2,4-dicarbonitrile
CID 117868434
N-[(2S)-2-[(3R)-3-acetamido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxy-3-methylquinoline-6-carboxamide
CID 177653154
N-[(2S)-2-[(3R)-3-acetamido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-8-methoxyquinoline-6-carboxamide
CID 177656646
11-[(1-Benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
CID 58240655

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
The IUPAC name of 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide (CID 164740617) is 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide.
What is the SMILES notation for 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
The canonical SMILES for 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide is C[C@]1(n2ccnc2)COc2c1cc([C@@](O)(Cc1ccc3cc(C(N)=O)ccc3n1)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
The InChIKey is ZNMLDZXJWSGXFT-VMPREFPWSA-N. The full InChI is InChI=1S/C30H23F4N5O3/c1-28(39-11-10-36-16-39)15-42-26-22(28)13-24(38-25(26)17-2-6-20(31)7-3-17)29(41,30(32,33)34)14-21-8-4-18-12-19(27(35)40)5-9-23(18)37-21/h2-13,16,41H,14-15H2,1H3,(H2,35,40)/t28-,29-/m0/s1.
What are the key properties of 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide?
2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide has a molecular weight of 577.54 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]quinoline-6-carboxamide is sourced from PubChem (CID 164740617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).