(4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one

C34H36FN3O6 — CID 167626501

IUPAC(4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(=O)C(C)(C)O)C2CC2)cc2cn(C)nc12
InChIInChI=1S/C34H36FN3O6/c1-32(2,41)31(40)33(3)18-44-30-24(33)16-27(36-29(30)19-6-10-23(35)11-7-19)34(42,22-8-9-22)13-12-25(39)20-14-21-17-38(4)37-28(21)26(15-20)43-5/h6-7,10-11,14-17,22,41-42H,8-9,12-13,18H2,1-5H3/t33-,34+/m0/s1
InChIKeyNEFBYDVIMPRSRU-SZAHLOSFSA-N
MW601.68 g/mol
LogP5.03
Rot. Bonds10

About (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one

(4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one (PubChem CID 167626501) has the molecular formula C34H36FN3O6 and a molecular weight of 601.68 g/mol. Its IUPAC name is (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one.

Molecular Properties

Compound Name(4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one
PubChem CID167626501
Molecular FormulaC34H36FN3O6
Molecular Weight601.68 g/mol
Exact Mass601.26
IUPAC Name(4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(=O)C(C)(C)O)C2CC2)cc2cn(C)nc12
InChIInChI=1S/C34H36FN3O6/c1-32(2,41)31(40)33(3)18-44-30-24(33)16-27(36-29(30)19-6-10-23(35)11-7-19)34(42,22-8-9-22)13-12-25(39)20-14-21-17-38(4)37-28(21)26(15-20)43-5/h6-7,10-11,14-17,22,41-42H,8-9,12-13,18H2,1-5H3/t33-,34+/m0/s1
InChIKeyNEFBYDVIMPRSRU-SZAHLOSFSA-N
XLogP5.03
TPSA123.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.68
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one with MolForge

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Related Compounds

(3R)-5-[(1R)-1-cyclopropyl-4-(3-cyclopropyl-8-methoxyquinolin-6-yl)-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167555517
(4R)-4-[(3R)-3-amino-7-(3,4-difluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(7-cyclopropyloxy-2-methylindazol-5-yl)-4-hydroxybutan-1-one
CID 161220087
(4R)-4-[(3R)-3-amino-7-(3-chloro-4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-cyclopropyl-1-(7-cyclopropyloxy-2-methylindazol-5-yl)-4-hydroxybutan-1-one
CID 157050634
(3R)-5-[(1R)-4-(8-chloroquinolin-6-yl)-1-cyclopropyl-1-hydroxy-4-oxobutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167621611
(3R)-5-[(2S)-5-(3-fluoro-8-methoxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167620517
N-[(2S)-2-[(3R)-3-[amino-[(Z)-2-aminoethenyl]amino]-7-(4-fluorophenyl)-3-(trifluoromethyl)-2H-furo[2,3-c]pyridin-5-yl]-2-cyclopropyl-2-hydroxyethyl]-7-methoxy-2-methylindazole-5-carboxamide
CID 167024177
(3R)-7-(4-fluorophenyl)-N-hydroxy-5-[(2S)-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167678105
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-N-[(1-methylcyclopropyl)methyl]-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167697992
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167574382
(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-[3-methoxy-4-(4-piperidin-1-ylbutoxy)phenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167681250
(3R)-N-cyclopropylsulfonyl-7-(4-fluorophenyl)-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 167610833
(3R)-5-[(1S)-1-cyclopropyl-2-[(2-cyclopropyl-7-methoxyindazole-5-carbonyl)amino]-1-hydroxyethyl]-7-(4-fluoro-2-methoxyphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
CID 170406252

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one?
The IUPAC name of (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one (CID 167626501) is (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one.
What is the SMILES notation for (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one?
The canonical SMILES for (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one is COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)C(=O)C(C)(C)O)C2CC2)cc2cn(C)nc12.
What is the InChIKey of (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one?
The InChIKey is NEFBYDVIMPRSRU-SZAHLOSFSA-N. The full InChI is InChI=1S/C34H36FN3O6/c1-32(2,41)31(40)33(3)18-44-30-24(33)16-27(36-29(30)19-6-10-23(35)11-7-19)34(42,22-8-9-22)13-12-25(39)20-14-21-17-38(4)37-28(21)26(15-20)43-5/h6-7,10-11,14-17,22,41-42H,8-9,12-13,18H2,1-5H3/t33-,34+/m0/s1.
What are the key properties of (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one?
(4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one has a molecular weight of 601.68 g/mol, XLogP of 5.03, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyclopropyl-4-[(3R)-7-(4-fluorophenyl)-3-(2-hydroxy-2-methylpropanoyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(7-methoxy-2-methylindazol-5-yl)butan-1-one is sourced from PubChem (CID 167626501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).