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

C27H36N6O2 — CID 77464584

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(CN2CCN(C)CC2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C27H36N6O2/c1-18-12-19(2)30-27(35)23(18)15-28-26(34)22-13-20(17-32-10-8-31(3)9-11-32)14-25-24(22)16-29-33(25)21-6-4-5-7-21/h12-14,16,21,23H,4-11,15,17H2,1-3H3,(H,28,34)
InChIKeyNGSFKAURFKTWJE-UHFFFAOYSA-N
MW476.63 g/mol
LogP3.19
Rot. Bonds6

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

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide (PubChem CID 77464584) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide
PubChem CID77464584
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(CN2CCN(C)CC2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C27H36N6O2/c1-18-12-19(2)30-27(35)23(18)15-28-26(34)22-13-20(17-32-10-8-31(3)9-11-32)14-25-24(22)16-29-33(25)21-6-4-5-7-21/h12-14,16,21,23H,4-11,15,17H2,1-3H3,(H,28,34)
InChIKeyNGSFKAURFKTWJE-UHFFFAOYSA-N
XLogP3.19
TPSA82.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide (CID 77464584) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(CN2CCN(C)CC2)cc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide?
The InChIKey is NGSFKAURFKTWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-18-12-19(2)30-27(35)23(18)15-28-26(34)22-13-20(17-32-10-8-31(3)9-11-32)14-25-24(22)16-29-33(25)21-6-4-5-7-21/h12-14,16,21,23H,4-11,15,17H2,1-3H3,(H,28,34).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide has a molecular weight of 476.63 g/mol, XLogP of 3.19, 6 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-[(4-methylpiperazin-1-yl)methyl]indazole-4-carboxamide is sourced from PubChem (CID 77464584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).