1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide

C31H37N5O3 — CID 77465829

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CN(C)CCO)c2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C31H37N5O3/c1-20-13-21(2)34-31(39)27(20)17-32-30(38)26-15-24(23-8-6-7-22(14-23)19-35(3)11-12-37)16-29-28(26)18-33-36(29)25-9-4-5-10-25/h6-8,13-16,18,25,27,37H,4-5,9-12,17,19H2,1-3H3,(H,32,38)
InChIKeyFCBKUYNGEAFBHS-UHFFFAOYSA-N
MW527.67 g/mol
LogP4.54
Rot. Bonds9

About 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide (PubChem CID 77465829) has the molecular formula C31H37N5O3 and a molecular weight of 527.67 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide
PubChem CID77465829
Molecular FormulaC31H37N5O3
Molecular Weight527.67 g/mol
Exact Mass527.29
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CN(C)CCO)c2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C31H37N5O3/c1-20-13-21(2)34-31(39)27(20)17-32-30(38)26-15-24(23-8-6-7-22(14-23)19-35(3)11-12-37)16-29-28(26)18-33-36(29)25-9-4-5-10-25/h6-8,13-16,18,25,27,37H,4-5,9-12,17,19H2,1-3H3,(H,32,38)
InChIKeyFCBKUYNGEAFBHS-UHFFFAOYSA-N
XLogP4.54
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-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 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide (CID 77465829) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(-c2cccc(CN(C)CCO)c2)cc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide?
The InChIKey is FCBKUYNGEAFBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N5O3/c1-20-13-21(2)34-31(39)27(20)17-32-30(38)26-15-24(23-8-6-7-22(14-23)19-35(3)11-12-37)16-29-28(26)18-33-36(29)25-9-4-5-10-25/h6-8,13-16,18,25,27,37H,4-5,9-12,17,19H2,1-3H3,(H,32,38).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide has a molecular weight of 527.67 g/mol, XLogP of 4.54, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]indazole-4-carboxamide is sourced from PubChem (CID 77465829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).