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

C34H34FN3O5 — CID 165010725

IUPAC(4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2ccnc2)C2CC2)ccc1OC1CC1
InChIInChI=1S/C34H34FN3O5/c1-33(38-16-15-36-20-38)19-42-32-26(33)18-30(37-31(32)21-3-8-24(35)9-4-21)34(40,23-6-7-23)14-13-27(39)22-5-12-28(29(17-22)41-2)43-25-10-11-25/h3-5,8-9,12,15-18,20,23,25,40H,6-7,10-11,13-14,19H2,1-2H3/t33-,34+/m0/s1
InChIKeyOANRMWMWFDKMDI-SZAHLOSFSA-N
MW583.66 g/mol
LogP6.05
Rot. Bonds11

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

(4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one (PubChem CID 165010725) has the molecular formula C34H34FN3O5 and a molecular weight of 583.66 g/mol. Its IUPAC name is (4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one.

Molecular Properties

Compound Name(4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one
PubChem CID165010725
Molecular FormulaC34H34FN3O5
Molecular Weight583.66 g/mol
Exact Mass583.25
IUPAC Name(4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2ccnc2)C2CC2)ccc1OC1CC1
InChIInChI=1S/C34H34FN3O5/c1-33(38-16-15-36-20-38)19-42-32-26(33)18-30(37-31(32)21-3-8-24(35)9-4-21)34(40,23-6-7-23)14-13-27(39)22-5-12-28(29(17-22)41-2)43-25-10-11-25/h3-5,8-9,12,15-18,20,23,25,40H,6-7,10-11,13-14,19H2,1-2H3/t33-,34+/m0/s1
InChIKeyOANRMWMWFDKMDI-SZAHLOSFSA-N
XLogP6.05
TPSA95.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.66
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

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-[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
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
(4S)-4-[(3R)-3-azido-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-1-(4-cyclopropyloxy-3-methoxyphenyl)-5,5,5-trifluoro-4-hydroxypentan-1-one;(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one
CID 164995596
(4S)-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-3-(4-cyclopropyltriazol-1-yl)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentan-1-one
CID 164995598
(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
(4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one
CID 165009538

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one?
The IUPAC name of (4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one (CID 165010725) is (4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one.
What is the SMILES notation for (4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one?
The canonical SMILES for (4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one is COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2ccnc2)C2CC2)ccc1OC1CC1.
What is the InChIKey of (4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one?
The InChIKey is OANRMWMWFDKMDI-SZAHLOSFSA-N. The full InChI is InChI=1S/C34H34FN3O5/c1-33(38-16-15-36-20-38)19-42-32-26(33)18-30(37-31(32)21-3-8-24(35)9-4-21)34(40,23-6-7-23)14-13-27(39)22-5-12-28(29(17-22)41-2)43-25-10-11-25/h3-5,8-9,12,15-18,20,23,25,40H,6-7,10-11,13-14,19H2,1-2H3/t33-,34+/m0/s1.
What are the key properties of (4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one?
(4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one has a molecular weight of 583.66 g/mol, XLogP of 6.05, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclopropyl-1-(4-cyclopropyloxy-3-methoxyphenyl)-4-[(3R)-7-(4-fluorophenyl)-3-imidazol-1-yl-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxybutan-1-one is sourced from PubChem (CID 165010725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).