2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide

C30H26F4N4O4 — CID 164740600

IUPAC2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1C[C@@](O)(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@@]2(n1ccnc1)C(F)(F)F)C1CC1
InChIInChI=1S/C30H26F4N4O4/c1-41-23-4-2-3-20(27(35)39)21(23)14-28(40,18-7-8-18)24-13-22-26(25(37-24)17-5-9-19(31)10-6-17)42-15-29(22,30(32,33)34)38-12-11-36-16-38/h2-6,9-13,16,18,40H,7-8,14-15H2,1H3,(H2,35,39)/t28-,29-/m0/s1
InChIKeyRETGFPNGLQNPMG-VMPREFPWSA-N
MW582.55 g/mol
LogP4.73
Rot. Bonds8

About 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide

2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide (PubChem CID 164740600) has the molecular formula C30H26F4N4O4 and a molecular weight of 582.55 g/mol. Its IUPAC name is 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide
PubChem CID164740600
Molecular FormulaC30H26F4N4O4
Molecular Weight582.55 g/mol
Exact Mass582.19
IUPAC Name2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(N)=O)c1C[C@@](O)(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@@]2(n1ccnc1)C(F)(F)F)C1CC1
InChIInChI=1S/C30H26F4N4O4/c1-41-23-4-2-3-20(27(35)39)21(23)14-28(40,18-7-8-18)24-13-22-26(25(37-24)17-5-9-19(31)10-6-17)42-15-29(22,30(32,33)34)38-12-11-36-16-38/h2-6,9-13,16,18,40H,7-8,14-15H2,1H3,(H2,35,39)/t28-,29-/m0/s1
InChIKeyRETGFPNGLQNPMG-VMPREFPWSA-N
XLogP4.73
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.55
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-(5-fluoro-2-methylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
CID 66555979
4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-N-[1-(hydroxymethyl)cyclopropyl]-2-methylbenzamide
CID 66556648
N-[2-[6-(3-chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-2-cyclopropyl-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)-3-methoxybenzamide
CID 117924399
4-[6-(2,3-dimethylphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methyl-N-(1-methylcyclopropyl)benzamide
CID 123541385
2-[3-[4-[3-(Oxetan-3-yl)imidazo[1,5-a]pyridin-6-yl]oxy-2-(trifluoromethyl)phenoxy]phenyl]acetic acid
CID 135331481
2-[(2S)-2-[(3R)-3-amino-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]-4-cyclopropyloxy-3-pyridin-3-ylbenzamide
CID 162459448
2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
CID 164740601
2-[(2S)-2-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-3-methoxybenzamide
CID 164740613
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
2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide
CID 164740618
2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide
CID 164740623
2-[(2S)-3,3,3-trifluoro-2-[(3R)-7-(4-fluorophenyl)-3-(triazol-1-yl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxypropyl]benzamide
CID 164740627

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide?
The IUPAC name of 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide (CID 164740600) is 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide.
What is the SMILES notation for 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide?
The canonical SMILES for 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide is COc1cccc(C(N)=O)c1C[C@@](O)(c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@@]2(n1ccnc1)C(F)(F)F)C1CC1.
What is the InChIKey of 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide?
The InChIKey is RETGFPNGLQNPMG-VMPREFPWSA-N. The full InChI is InChI=1S/C30H26F4N4O4/c1-41-23-4-2-3-20(27(35)39)21(23)14-28(40,18-7-8-18)24-13-22-26(25(37-24)17-5-9-19(31)10-6-17)42-15-29(22,30(32,33)34)38-12-11-36-16-38/h2-6,9-13,16,18,40H,7-8,14-15H2,1H3,(H2,35,39)/t28-,29-/m0/s1.
What are the key properties of 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide?
2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide has a molecular weight of 582.55 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-cyclopropyl-2-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxyethyl]-3-methoxybenzamide is sourced from PubChem (CID 164740600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).