(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one

C32H29F4N3O5 — CID 164999385

IUPAC(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2ccnc2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C32H29F4N3O5/c1-30(39-14-13-37-18-39)17-43-29-23(30)16-27(38-28(29)19-3-6-21(33)7-4-19)31(41,32(34,35)36)12-11-24(40)20-5-10-25(26(15-20)42-2)44-22-8-9-22/h3-7,10,13-16,18,22,41H,8-9,11-12,17H2,1-2H3/t30-,31-/m0/s1
InChIKeyIAFJUEXAAKOYCM-CONSDPRKSA-N
MW611.59 g/mol
LogP6.20
Rot. Bonds10

About (4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one

(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one (PubChem CID 164999385) has the molecular formula C32H29F4N3O5 and a molecular weight of 611.59 g/mol. Its IUPAC name is (4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one.

Molecular Properties

Compound Name(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one
PubChem CID164999385
Molecular FormulaC32H29F4N3O5
Molecular Weight611.59 g/mol
Exact Mass611.20
IUPAC Name(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2ccnc2)C(F)(F)F)ccc1OC1CC1
InChIInChI=1S/C32H29F4N3O5/c1-30(39-14-13-37-18-39)17-43-29-23(30)16-27(38-28(29)19-3-6-21(33)7-4-19)31(41,32(34,35)36)12-11-24(40)20-5-10-25(26(15-20)42-2)44-22-8-9-22/h3-7,10,13-16,18,22,41H,8-9,11-12,17H2,1-2H3/t30-,31-/m0/s1
InChIKeyIAFJUEXAAKOYCM-CONSDPRKSA-N
XLogP6.20
TPSA95.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.59
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one with MolForge

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Related Compounds

N-[2-[7-(3-chloro-4-fluorophenyl)-3,3-dimethyl-2H-furo[2,3-c]pyridin-5-yl]-2-hydroxy-3-imidazol-1-ylpropyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 117936670
4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[3-(4-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]-2-hydroxypropyl]benzamide
CID 122503072
4-(2-hydroxyethoxy)-3-methoxy-N-[3,3,3-trifluoro-2-[1-(4-fluorophenyl)imidazo[1,5-a]pyridin-3-yl]-2-hydroxypropyl]benzamide
CID 122503170
4-[6-(3-Chloro-4-fluorophenyl)-5-methoxy-2-pyridinyl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-imidazol-1-ylpentan-1-one
CID 149091104
4-[2-[2-[2-[4-[6-(Dimethylamino)-2-fluoro-3-pyridinyl]phenyl]imidazo[1,2-a]pyridin-6-yl]oxyethoxy]ethoxy]phthalic acid
CID 156368389
1-[8-[(2,6-Difluorophenyl)methoxy]-2-methylimidazo[1,2-a]pyridin-3-yl]-4-hydroxy-3-[3-(2-hydroxyethoxy)phenyl]-3-methylbutan-1-one
CID 159791677
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
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]benzamide
CID 164740641
(4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(1,2,4-triazol-4-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one
CID 164956351
(4S)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one
CID 164959771
(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one
CID 164961102
(4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-methyl-3-(triazol-1-yl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one
CID 164979533

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one?
The IUPAC name of (4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one (CID 164999385) is (4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one.
What is the SMILES notation for (4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one?
The canonical SMILES for (4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one is COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2ccnc2)C(F)(F)F)ccc1OC1CC1.
What is the InChIKey of (4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one?
The InChIKey is IAFJUEXAAKOYCM-CONSDPRKSA-N. The full InChI is InChI=1S/C32H29F4N3O5/c1-30(39-14-13-37-18-39)17-43-29-23(30)16-27(38-28(29)19-3-6-21(33)7-4-19)31(41,32(34,35)36)12-11-24(40)20-5-10-25(26(15-20)42-2)44-22-8-9-22/h3-7,10,13-16,18,22,41H,8-9,11-12,17H2,1-2H3/t30-,31-/m0/s1.
What are the key properties of (4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one?
(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one has a molecular weight of 611.59 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentan-1-one is sourced from PubChem (CID 164999385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).