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

C22H26N4O3 — CID 77465667

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(CO)cc2c1cnn2C1CCCC1
InChIInChI=1S/C22H26N4O3/c1-13-7-14(2)25-22(29)18(13)10-23-21(28)17-8-15(12-27)9-20-19(17)11-24-26(20)16-5-3-4-6-16/h7-9,11,16,18,27H,3-6,10,12H2,1-2H3,(H,23,28)
InChIKeyCLENENSYUZCSMC-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.94
Rot. Bonds5

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

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide (PubChem CID 77465667) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide
PubChem CID77465667
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cc(CO)cc2c1cnn2C1CCCC1
InChIInChI=1S/C22H26N4O3/c1-13-7-14(2)25-22(29)18(13)10-23-21(28)17-8-15(12-27)9-20-19(17)11-24-26(20)16-5-3-4-6-16/h7-9,11,16,18,27H,3-6,10,12H2,1-2H3,(H,23,28)
InChIKeyCLENENSYUZCSMC-UHFFFAOYSA-N
XLogP2.94
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(hydroxymethyl)indazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide (CID 77465667) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cc(CO)cc2c1cnn2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide?
The InChIKey is CLENENSYUZCSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-13-7-14(2)25-22(29)18(13)10-23-21(28)17-8-15(12-27)9-20-19(17)11-24-26(20)16-5-3-4-6-16/h7-9,11,16,18,27H,3-6,10,12H2,1-2H3,(H,23,28).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-(hydroxymethyl)indazole-4-carboxamide is sourced from PubChem (CID 77465667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).