6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one

C20H23N3O2 — CID 131984836

IUPAC6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCc1ccc(Cn2c(C)cc3c(cnn3C3CCOCC3)c2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-14-3-5-16(6-4-14)13-22-15(2)11-19-18(20(22)24)12-21-23(19)17-7-9-25-10-8-17/h3-6,11-12,17H,7-10,13H2,1-2H3
InChIKeyCXGGCYJPLGSTBH-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.21
Rot. Bonds3

About 6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one

6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one (PubChem CID 131984836) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
PubChem CID131984836
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCc1ccc(Cn2c(C)cc3c(cnn3C3CCOCC3)c2=O)cc1
InChIInChI=1S/C20H23N3O2/c1-14-3-5-16(6-4-14)13-22-15(2)11-19-18(20(22)24)12-21-23(19)17-7-9-25-10-8-17/h3-6,11-12,17H,7-10,13H2,1-2H3
InChIKeyCXGGCYJPLGSTBH-UHFFFAOYSA-N
XLogP3.21
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,5-dimethyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 850677
N-((2-hydroxy-4,6-dimethylpyridin-3-yl)methyl)-3-methyl-1-(1-phenylethyl)-1H-pyrazole-4-carboxamide
CID 89741711
4-[[1-(1,5-dimethylpyrazole-4-carbonyl)-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682476
N-benzyl-N-isopropyl-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 2813881
US11104680, Example 15
CID 131984840
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethyl-1-propylpyrazole-4-carboxamide
CID 24791697
4-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}morpholine
CID 883452
US10138229, Example 9
CID 73052743
8-[4-(ethoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
CID 76468689
7-methyl-1-(oxan-4-yl)-8-(piperidine-1-carbonyl)-8H-pyrazolo[4,5-c]quinolin-4-one
CID 86767168
8-[4-(methoxymethyl)piperidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
CID 86767175
8-[3-(ethoxymethyl)azetidine-1-carbonyl]-7-methyl-1-(oxan-4-yl)-8H-pyrazolo[4,5-c]quinolin-4-one
CID 86767184

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one (CID 131984836) is 6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one is Cc1ccc(Cn2c(C)cc3c(cnn3C3CCOCC3)c2=O)cc1.
What is the InChIKey of 6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is CXGGCYJPLGSTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-3-5-16(6-4-14)13-22-15(2)11-19-18(20(22)24)12-21-23(19)17-7-9-25-10-8-17/h3-6,11-12,17H,7-10,13H2,1-2H3.
What are the key properties of 6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 337.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(4-methylphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 131984836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).