1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide

C22H26N4O2 — CID 127029641

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2ccc3cnn(C4CCCC4)c3c2C)c(=O)[nH]1
InChIInChI=1S/C22H26N4O2/c1-13-10-14(2)25-22(28)19(13)12-23-21(27)18-9-8-16-11-24-26(20(16)15(18)3)17-6-4-5-7-17/h8-11,17H,4-7,12H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyWEIMXAIORJYAGU-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.69
Rot. Bonds4

About 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide (PubChem CID 127029641) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide
PubChem CID127029641
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2ccc3cnn(C4CCCC4)c3c2C)c(=O)[nH]1
InChIInChI=1S/C22H26N4O2/c1-13-10-14(2)25-22(28)19(13)12-23-21(27)18-9-8-16-11-24-26(20(16)15(18)3)17-6-4-5-7-17/h8-11,17H,4-7,12H2,1-3H3,(H,23,27)(H,25,28)
InChIKeyWEIMXAIORJYAGU-UHFFFAOYSA-N
XLogP3.69
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide (CID 127029641) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide is Cc1cc(C)c(CNC(=O)c2ccc3cnn(C4CCCC4)c3c2C)c(=O)[nH]1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide?
The InChIKey is WEIMXAIORJYAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-13-10-14(2)25-22(28)19(13)12-23-21(27)18-9-8-16-11-24-26(20(16)15(18)3)17-6-4-5-7-17/h8-11,17H,4-7,12H2,1-3H3,(H,23,27)(H,25,28).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-methylindazole-6-carboxamide is sourced from PubChem (CID 127029641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).