6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide

C27H31N7O4 — CID 121480122

IUPAC6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide
SMILESCN(CCc1ccc2c(C(N)=O)nn(-c3cc(C#C[C@]4(O)CCN(C)C4=O)ccn3)c2c1)C(=O)CCCN
InChIInChI=1S/C27H31N7O4/c1-32(23(35)4-3-12-28)14-9-18-5-6-20-21(16-18)34(31-24(20)25(29)36)22-17-19(8-13-30-22)7-10-27(38)11-15-33(2)26(27)37/h5-6,8,13,16-17,38H,3-4,9,11-12,14-15,28H2,1-2H3,(H2,29,36)/t27-/m0/s1
InChIKeyLVJJGGUPSFLSKN-MHZLTWQESA-N
MW517.59 g/mol
LogP0.20
Rot. Bonds8

About 6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide

6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide (PubChem CID 121480122) has the molecular formula C27H31N7O4 and a molecular weight of 517.59 g/mol. Its IUPAC name is 6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide.

Molecular Properties

Compound Name6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide
PubChem CID121480122
Molecular FormulaC27H31N7O4
Molecular Weight517.59 g/mol
Exact Mass517.24
IUPAC Name6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide
SMILESCN(CCc1ccc2c(C(N)=O)nn(-c3cc(C#C[C@]4(O)CCN(C)C4=O)ccn3)c2c1)C(=O)CCCN
InChIInChI=1S/C27H31N7O4/c1-32(23(35)4-3-12-28)14-9-18-5-6-20-21(16-18)34(31-24(20)25(29)36)22-17-19(8-13-30-22)7-10-27(38)11-15-33(2)26(27)37/h5-6,8,13,16-17,38H,3-4,9,11-12,14-15,28H2,1-2H3,(H2,29,36)/t27-/m0/s1
InChIKeyLVJJGGUPSFLSKN-MHZLTWQESA-N
XLogP0.20
TPSA160.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.59
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide?
The IUPAC name of 6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide (CID 121480122) is 6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide.
What is the SMILES notation for 6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide?
The canonical SMILES for 6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide is CN(CCc1ccc2c(C(N)=O)nn(-c3cc(C#C[C@]4(O)CCN(C)C4=O)ccn3)c2c1)C(=O)CCCN.
What is the InChIKey of 6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide?
The InChIKey is LVJJGGUPSFLSKN-MHZLTWQESA-N. The full InChI is InChI=1S/C27H31N7O4/c1-32(23(35)4-3-12-28)14-9-18-5-6-20-21(16-18)34(31-24(20)25(29)36)22-17-19(8-13-30-22)7-10-27(38)11-15-33(2)26(27)37/h5-6,8,13,16-17,38H,3-4,9,11-12,14-15,28H2,1-2H3,(H2,29,36)/t27-/m0/s1.
What are the key properties of 6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide?
6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide has a molecular weight of 517.59 g/mol, XLogP of 0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-aminobutanoyl(methyl)amino]ethyl]-1-[4-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-2-pyridinyl]indazole-3-carboxamide is sourced from PubChem (CID 121480122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).