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

C27H37N5O3 — CID 77465672

IUPAC1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(COCCCN(C)C)cc2c1cnn2C1CCCC1
InChIInChI=1S/C27H37N5O3/c1-18-12-19(2)30-27(34)23(18)15-28-26(33)22-13-20(17-35-11-7-10-31(3)4)14-25-24(22)16-29-32(25)21-8-5-6-9-21/h12-14,16,21,23H,5-11,15,17H2,1-4H3,(H,28,33)
InChIKeyOUCTYYZVGQCVRZ-UHFFFAOYSA-N
MW479.63 g/mol
LogP3.91
Rot. Bonds10

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

1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide (PubChem CID 77465672) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is 1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
PubChem CID77465672
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC Name1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(COCCCN(C)C)cc2c1cnn2C1CCCC1
InChIInChI=1S/C27H37N5O3/c1-18-12-19(2)30-27(34)23(18)15-28-26(33)22-13-20(17-35-11-7-10-31(3)4)14-25-24(22)16-29-32(25)21-8-5-6-9-21/h12-14,16,21,23H,5-11,15,17H2,1-4H3,(H,28,33)
InChIKeyOUCTYYZVGQCVRZ-UHFFFAOYSA-N
XLogP3.91
TPSA88.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 53.91
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-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide (CID 77465672) is 1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(COCCCN(C)C)cc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide?
The InChIKey is OUCTYYZVGQCVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-18-12-19(2)30-27(34)23(18)15-28-26(33)22-13-20(17-35-11-7-10-31(3)4)14-25-24(22)16-29-32(25)21-8-5-6-9-21/h12-14,16,21,23H,5-11,15,17H2,1-4H3,(H,28,33).
What are the key properties of 1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide?
1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide has a molecular weight of 479.63 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide is sourced from PubChem (CID 77465672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).