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

C25H32N4O4 — CID 77465806

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-methoxyethoxymethyl)indazole-4-carboxamide
SMILESCOCCOCc1cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c2cnn(C3CCCC3)c2c1
InChIInChI=1S/C25H32N4O4/c1-16-10-17(2)28-25(31)21(16)13-26-24(30)20-11-18(15-33-9-8-32-3)12-23-22(20)14-27-29(23)19-6-4-5-7-19/h10-12,14,19,21H,4-9,13,15H2,1-3H3,(H,26,30)
InChIKeyJEHWVCGMTIAZFB-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.61
Rot. Bonds9

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

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-methoxyethoxymethyl)indazole-4-carboxamide (PubChem CID 77465806) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-methoxyethoxymethyl)indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-methoxyethoxymethyl)indazole-4-carboxamide
PubChem CID77465806
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-methoxyethoxymethyl)indazole-4-carboxamide
SMILESCOCCOCc1cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c2cnn(C3CCCC3)c2c1
InChIInChI=1S/C25H32N4O4/c1-16-10-17(2)28-25(31)21(16)13-26-24(30)20-11-18(15-33-9-8-32-3)12-23-22(20)14-27-29(23)19-6-4-5-7-19/h10-12,14,19,21H,4-9,13,15H2,1-3H3,(H,26,30)
InChIKeyJEHWVCGMTIAZFB-UHFFFAOYSA-N
XLogP3.61
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.61
H-Bond Donors ≤ 51
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-methoxyethoxymethyl)indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-methoxyethoxymethyl)indazole-4-carboxamide (CID 77465806) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-methoxyethoxymethyl)indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-methoxyethoxymethyl)indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-methoxyethoxymethyl)indazole-4-carboxamide is COCCOCc1cc(C(=O)NCC2C(=O)N=C(C)C=C2C)c2cnn(C3CCCC3)c2c1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-methoxyethoxymethyl)indazole-4-carboxamide?
The InChIKey is JEHWVCGMTIAZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-16-10-17(2)28-25(31)21(16)13-26-24(30)20-11-18(15-33-9-8-32-3)12-23-22(20)14-27-29(23)19-6-4-5-7-19/h10-12,14,19,21H,4-9,13,15H2,1-3H3,(H,26,30).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-methoxyethoxymethyl)indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-methoxyethoxymethyl)indazole-4-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 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-methoxyethoxymethyl)indazole-4-carboxamide is sourced from PubChem (CID 77465806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).