2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid

C42H47N7O4 — CID 139328380

IUPAC2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid
SMILESCc1nccc(-c2ccc3[nH]c(C(=O)N4CCc5nn(-c6ccccc6)c(N6CCN(CC7CCCCC7)C6=O)c5C4)c(C(C)(C)C(=O)O)c3c2)c1C
InChIInChI=1S/C42H47N7O4/c1-26-27(2)43-19-17-31(26)29-15-16-34-32(23-29)36(42(3,4)40(51)52)37(44-34)39(50)46-20-18-35-33(25-46)38(49(45-35)30-13-9-6-10-14-30)48-22-21-47(41(48)53)24-28-11-7-5-8-12-28/h6,9-10,13-17,19,23,28,44H,5,7-8,11-12,18,20-22,24-25H2,1-4H3,(H,51,52)
InChIKeyQXFVEOFPFJARIH-UHFFFAOYSA-N
MW713.88 g/mol
LogP7.42
Rot. Bonds8

About 2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid

2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid (PubChem CID 139328380) has the molecular formula C42H47N7O4 and a molecular weight of 713.88 g/mol. Its IUPAC name is 2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid
PubChem CID139328380
Molecular FormulaC42H47N7O4
Molecular Weight713.88 g/mol
Exact Mass713.37
IUPAC Name2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid
SMILESCc1nccc(-c2ccc3[nH]c(C(=O)N4CCc5nn(-c6ccccc6)c(N6CCN(CC7CCCCC7)C6=O)c5C4)c(C(C)(C)C(=O)O)c3c2)c1C
InChIInChI=1S/C42H47N7O4/c1-26-27(2)43-19-17-31(26)29-15-16-34-32(23-29)36(42(3,4)40(51)52)37(44-34)39(50)46-20-18-35-33(25-46)38(49(45-35)30-13-9-6-10-14-30)48-22-21-47(41(48)53)24-28-11-7-5-8-12-28/h6,9-10,13-17,19,23,28,44H,5,7-8,11-12,18,20-22,24-25H2,1-4H3,(H,51,52)
InChIKeyQXFVEOFPFJARIH-UHFFFAOYSA-N
XLogP7.42
TPSA127.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.88
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid 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

1-[5-[3-acetyl-7-methyl-1-[2-[(1S,3S,4R)-3-[[3-methyl-6-(trifluoromethyl)pyridin-2-yl]carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazol-5-yl]pyridin-3-yl]cyclopropane-1-carboxylic acid
CID 146404659
methyl 1-[5-[3-acetyl-7-methyl-1-[2-[(1S,3S,4R)-3-[[3-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazol-5-yl]-3-pyridinyl]cyclopropane-1-carboxylate
CID 146404798
methyl 1-[5-[3-acetyl-7-methyl-1-[2-[(3S)-3-[[3-methyl-6-(trifluoromethyl)pyridin-2-yl]carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazol-5-yl]pyridin-3-yl]cyclopropane-1-carboxylate
CID 146404901
1-[2-(4-fluoro-3,5-dimethylphenyl)-5-[5-(oxan-4-yl)-1H-indole-2-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3-(1-methylindazol-5-yl)imidazol-2-one
CID 155768178
(4R)-4-[2-[2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]-3-iminopentanoic acid
CID 159456095
1-[5-[3-acetyl-7-methyl-1-[2-[(3S)-3-[[3-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazol-5-yl]-3-pyridinyl]cyclopropane-1-carboxylic acid
CID 167316683
methyl 1-[5-[3-acetyl-7-methyl-1-[2-[(4S)-3-[[3-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazol-5-yl]-3-pyridinyl]cyclopropane-1-carboxylate
CID 167316761
1-[5-[3-acetyl-7-methyl-1-[2-[(4S)-3-[[3-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazol-5-yl]-3-pyridinyl]cyclopropane-1-carboxylic acid
CID 167316925
1-[5-[3-acetyl-7-methyl-1-[2-[(3S,7S)-7-methyl-3-[[3-methyl-6-(trifluoromethyl)-2-pyridinyl]carbamoyl]-2-azabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indazol-5-yl]-3-pyridinyl]cyclopropane-1-carboxylic acid
CID 169598411
[(2R)-2-[2-[2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(1-methylindazol-5-yl)-2-oxoimidazol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(oxan-4-yl)indol-1-yl]propanimidoyl]carbamic acid
CID 173814869
N-[(4S,5S)-7-ethyl-4-(4-fluorophenyl)-5-hydroxy-3-methyl-6-oxo-1-phenyl-4H-pyrazolo[5,4-b]pyridin-5-yl]-1-methylindole-5-carboxamide
CID 174028412
4-[4-[4-[3-(2,4-dioxo-1,3-diazinan-1-yl)-1-methylindazol-7-yl]piperidin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(3-pyrazol-1-ylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
CID 176931843

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid (CID 139328380) is 2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid is Cc1nccc(-c2ccc3[nH]c(C(=O)N4CCc5nn(-c6ccccc6)c(N6CCN(CC7CCCCC7)C6=O)c5C4)c(C(C)(C)C(=O)O)c3c2)c1C.
What is the InChIKey of 2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid?
The InChIKey is QXFVEOFPFJARIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H47N7O4/c1-26-27(2)43-19-17-31(26)29-15-16-34-32(23-29)36(42(3,4)40(51)52)37(44-34)39(50)46-20-18-35-33(25-46)38(49(45-35)30-13-9-6-10-14-30)48-22-21-47(41(48)53)24-28-11-7-5-8-12-28/h6,9-10,13-17,19,23,28,44H,5,7-8,11-12,18,20-22,24-25H2,1-4H3,(H,51,52).
What are the key properties of 2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid?
2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid has a molecular weight of 713.88 g/mol, XLogP of 7.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[3-(cyclohexylmethyl)-2-oxoimidazolidin-1-yl]-2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-5-(2,3-dimethyl-4-pyridinyl)-1H-indol-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 139328380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).