(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

C33H32FN5O4 — CID 165009538

IUPAC(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
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2ccnc2)C2CC2)cc2cn(C)nc12
InChIInChI=1S/C33H32FN5O4/c1-32(39-13-12-35-19-39)18-43-31-25(32)16-28(36-30(31)20-4-8-24(34)9-5-20)33(41,23-6-7-23)11-10-26(40)21-14-22-17-38(2)37-29(22)27(15-21)42-3/h4-5,8-9,12-17,19,23,41H,6-7,10-11,18H2,1-3H3/t32-,33+/m0/s1
InChIKeyJMFWJNHKKFXIRE-JHOUSYSJSA-N
MW581.65 g/mol
LogP5.40
Rot. Bonds9

About (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

(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 (PubChem CID 165009538) has the molecular formula C33H32FN5O4 and a molecular weight of 581.65 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID165009538
Molecular FormulaC33H32FN5O4
Molecular Weight581.65 g/mol
Exact Mass581.24
IUPAC Name(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
SMILESCOc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2ccnc2)C2CC2)cc2cn(C)nc12
InChIInChI=1S/C33H32FN5O4/c1-32(39-13-12-35-19-39)18-43-31-25(32)16-28(36-30(31)20-4-8-24(34)9-5-20)33(41,23-6-7-23)11-10-26(40)21-14-22-17-38(2)37-29(22)27(15-21)42-3/h4-5,8-9,12-17,19,23,41H,6-7,10-11,18H2,1-3H3/t32-,33+/m0/s1
InChIKeyJMFWJNHKKFXIRE-JHOUSYSJSA-N
XLogP5.40
TPSA104.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.65
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11420976, Example 55
CID 165436713
US12492202, Example 3
CID 156824198
US12473304, Example 574
CID 156829054
US12473304, Example 556
CID 156829643
US12492202, Example 20
CID 168819107
US20250346592, Example 155
CID 170604061
[(3R,5R)-1-[2-[7-(1-acetylpiperidin-4-yl)-1-(cyclopropylmethyl)indol-2-yl]-7-methoxy-1-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carbonyl]-5-fluoropiperidin-3-yl]carbamic acid
CID 146349737
2-[2-[(6-Ethyl-8-methoxyquinolin-4-yl)-methylamino]ethoxy]-5-(imidazol-1-ylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]benzaldehyde
CID 155382188
2-[[2,5-Difluoro-4-[6-[[3-(1-methylpyrazol-4-yl)phenyl]methoxy]-2-pyridinyl]phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylic acid
CID 156307704
9-[(E)-4-[6-carbamoyl-2-(2-ethyl-5-methylpyrazol-3-yl)-8-(3-morpholin-4-ylpropoxy)pyrimido[4,5-b]indol-9-yl]but-2-enyl]-8-[3-(4,4-difluoropiperidin-1-yl)propoxy]-2-(2-ethyl-5-methylpyrazol-3-yl)pyrimido[4,5-b]indole-6-carboxamide
CID 156317093
9-[(E)-4-[6-carbamoyl-2-(2-ethyl-5-methylpyrazol-3-yl)-8-[[4-(trifluoromethyl)phenyl]methoxy]pyrimido[4,5-b]indol-9-yl]but-2-enyl]-2-(2-ethyl-5-methylpyrazol-3-yl)-8-methoxypyrimido[4,5-b]indole-6-carboxamide
CID 156332002
9-[(E)-4-[7-[3-(3,3-difluoroazetidin-1-yl)propoxy]-3-[(2-ethyl-5-methylpyrazol-3-yl)methyliminomethyl]-5-methyl-2-(methylideneamino)indol-1-yl]but-2-enyl]-2-(2-ethyl-5-methylpyrazol-3-yl)-8-(3-piperidin-1-ylpropoxy)pyrimido[4,5-b]indole-6-carbaldehyde
CID 156332024

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(C(=O)CC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@]3(C)n2ccnc2)C2CC2)cc2cn(C)nc12.
What is the InChIKey of (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?
The InChIKey is JMFWJNHKKFXIRE-JHOUSYSJSA-N. The full InChI is InChI=1S/C33H32FN5O4/c1-32(39-13-12-35-19-39)18-43-31-25(32)16-28(36-30(31)20-4-8-24(34)9-5-20)33(41,23-6-7-23)11-10-26(40)21-14-22-17-38(2)37-29(22)27(15-21)42-3/h4-5,8-9,12-17,19,23,41H,6-7,10-11,18H2,1-3H3/t32-,33+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 581.65 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 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-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 is sourced from PubChem (CID 165009538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).