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

C24H30N4O4 — CID 77465874

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(COCCO)cc2c1cnn2C1CCCC1
InChIInChI=1S/C24H30N4O4/c1-15-9-16(2)27-24(31)20(15)12-25-23(30)19-10-17(14-32-8-7-29)11-22-21(19)13-26-28(22)18-5-3-4-6-18/h9-11,13,18,20,29H,3-8,12,14H2,1-2H3,(H,25,30)
InChIKeyINBNUOFWCXQNQT-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.95
Rot. Bonds8

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

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide (PubChem CID 77465874) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide
PubChem CID77465874
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(COCCO)cc2c1cnn2C1CCCC1
InChIInChI=1S/C24H30N4O4/c1-15-9-16(2)27-24(31)20(15)12-25-23(30)19-10-17(14-32-8-7-29)11-22-21(19)13-26-28(22)18-5-3-4-6-18/h9-11,13,18,20,29H,3-8,12,14H2,1-2H3,(H,25,30)
InChIKeyINBNUOFWCXQNQT-UHFFFAOYSA-N
XLogP2.95
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide (CID 77465874) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(COCCO)cc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide?
The InChIKey is INBNUOFWCXQNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-15-9-16(2)27-24(31)20(15)12-25-23(30)19-10-17(14-32-8-7-29)11-22-21(19)13-26-28(22)18-5-3-4-6-18/h9-11,13,18,20,29H,3-8,12,14H2,1-2H3,(H,25,30).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide has a molecular weight of 438.53 g/mol, XLogP of 2.95, 8 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-(2-hydroxyethoxymethyl)indazole-4-carboxamide is sourced from PubChem (CID 77465874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).