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

C26H32N6O3 — CID 77465715

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(3-oxopiperazin-1-yl)methyl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(CN2CCNC(=O)C2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C26H32N6O3/c1-16-9-17(2)30-26(35)21(16)12-28-25(34)20-10-18(14-31-8-7-27-24(33)15-31)11-23-22(20)13-29-32(23)19-5-3-4-6-19/h9-11,13,19,21H,3-8,12,14-15H2,1-2H3,(H,27,33)(H,28,34)
InChIKeyZRZJVGBFBKGNHJ-UHFFFAOYSA-N
MW476.58 g/mol
LogP2.38
Rot. Bonds6

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

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(3-oxopiperazin-1-yl)methyl]indazole-4-carboxamide (PubChem CID 77465715) has the molecular formula C26H32N6O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(3-oxopiperazin-1-yl)methyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(3-oxopiperazin-1-yl)methyl]indazole-4-carboxamide
PubChem CID77465715
Molecular FormulaC26H32N6O3
Molecular Weight476.58 g/mol
Exact Mass476.25
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(3-oxopiperazin-1-yl)methyl]indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(CN2CCNC(=O)C2)cc2c1cnn2C1CCCC1
InChIInChI=1S/C26H32N6O3/c1-16-9-17(2)30-26(35)21(16)12-28-25(34)20-10-18(14-31-8-7-27-24(33)15-31)11-23-22(20)13-29-32(23)19-5-3-4-6-19/h9-11,13,19,21H,3-8,12,14-15H2,1-2H3,(H,27,33)(H,28,34)
InChIKeyZRZJVGBFBKGNHJ-UHFFFAOYSA-N
XLogP2.38
TPSA108.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 52.38
H-Bond Donors ≤ 52
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-[(3-oxopiperazin-1-yl)methyl]indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(3-oxopiperazin-1-yl)methyl]indazole-4-carboxamide (CID 77465715) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(3-oxopiperazin-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-[(3-oxopiperazin-1-yl)methyl]indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(3-oxopiperazin-1-yl)methyl]indazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(CN2CCNC(=O)C2)cc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(3-oxopiperazin-1-yl)methyl]indazole-4-carboxamide?
The InChIKey is ZRZJVGBFBKGNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O3/c1-16-9-17(2)30-26(35)21(16)12-28-25(34)20-10-18(14-31-8-7-27-24(33)15-31)11-23-22(20)13-29-32(23)19-5-3-4-6-19/h9-11,13,19,21H,3-8,12,14-15H2,1-2H3,(H,27,33)(H,28,34).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(3-oxopiperazin-1-yl)methyl]indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[(3-oxopiperazin-1-yl)methyl]indazole-4-carboxamide has a molecular weight of 476.58 g/mol, XLogP of 2.38, 6 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-oxopiperazin-1-yl)methyl]indazole-4-carboxamide is sourced from PubChem (CID 77465715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).