N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide

C28H32N8O4 — CID 155444815

IUPACN-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc3cnn(C)c3n2CCC(CCO)OCc2ccccc2)cc(-c2c[nH]n(C)c2=O)n1
InChIInChI=1S/C28H32N8O4/c1-18-13-20(14-23(31-18)22-15-29-35(3)27(22)39)25(38)33-28-32-24-16-30-34(2)26(24)36(28)11-9-21(10-12-37)40-17-19-7-5-4-6-8-19/h4-8,13-16,21,29,37H,9-12,17H2,1-3H3,(H,32,33,38)
InChIKeyYTNZDADMINISLP-UHFFFAOYSA-N
MW544.62 g/mol
LogP2.78
Rot. Bonds11

About N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide

N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide (PubChem CID 155444815) has the molecular formula C28H32N8O4 and a molecular weight of 544.62 g/mol. Its IUPAC name is N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide
PubChem CID155444815
Molecular FormulaC28H32N8O4
Molecular Weight544.62 g/mol
Exact Mass544.25
IUPAC NameN-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc3cnn(C)c3n2CCC(CCO)OCc2ccccc2)cc(-c2c[nH]n(C)c2=O)n1
InChIInChI=1S/C28H32N8O4/c1-18-13-20(14-23(31-18)22-15-29-35(3)27(22)39)25(38)33-28-32-24-16-30-34(2)26(24)36(28)11-9-21(10-12-37)40-17-19-7-5-4-6-8-19/h4-8,13-16,21,29,37H,9-12,17H2,1-3H3,(H,32,33,38)
InChIKeyYTNZDADMINISLP-UHFFFAOYSA-N
XLogP2.78
TPSA144.88 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.62
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide (CID 155444815) is N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide is Cc1cc(C(=O)Nc2nc3cnn(C)c3n2CCC(CCO)OCc2ccccc2)cc(-c2c[nH]n(C)c2=O)n1.
What is the InChIKey of N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide?
The InChIKey is YTNZDADMINISLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O4/c1-18-13-20(14-23(31-18)22-15-29-35(3)27(22)39)25(38)33-28-32-24-16-30-34(2)26(24)36(28)11-9-21(10-12-37)40-17-19-7-5-4-6-8-19/h4-8,13-16,21,29,37H,9-12,17H2,1-3H3,(H,32,33,38).
What are the key properties of N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide?
N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide has a molecular weight of 544.62 g/mol, XLogP of 2.78, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-hydroxy-3-phenylmethoxypentyl)-1-methylimidazo[4,5-d]pyrazol-5-yl]-2-methyl-6-(2-methyl-3-oxo-1H-pyrazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 155444815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).