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

C20H23N3O3 — CID 131984861

IUPAC5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(Cn2c(C)cc3c(cnn3C3CCOCC3)c2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-14-11-19-18(12-21-23(19)16-7-9-26-10-8-16)20(24)22(14)13-15-3-5-17(25-2)6-4-15/h3-6,11-12,16H,7-10,13H2,1-2H3
InChIKeyLWAQPJWARNOJEY-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.91
Rot. Bonds4

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

5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one (PubChem CID 131984861) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
PubChem CID131984861
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(Cn2c(C)cc3c(cnn3C3CCOCC3)c2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-14-11-19-18(12-21-23(19)16-7-9-26-10-8-16)20(24)22(14)13-15-3-5-17(25-2)6-4-15/h3-6,11-12,16H,7-10,13H2,1-2H3
InChIKeyLWAQPJWARNOJEY-UHFFFAOYSA-N
XLogP2.91
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
[4-(4-fluorophenyl)piperazino][1-(4-methoxyphenyl)-5-methyl-1H-pyrazol-4-yl]methanone
CID 2812819
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
1-Cyclohexyl-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}-ethyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 46884916
US10138229, Example 29
CID 89968957
[4-(2-Methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone
CID 2810968
5-(4-methoxybenzyl)-4-oxo-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 1474584
tert-butyl 4-[4-(ethoxycarbonyl)-1-(4-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 16020033
Tert-butyl 4-(4-{[(4-methoxyphenyl)methyl]carbamoyl}-1-(4-methylphenyl)-1H-pyrazol-5-YL)piperidine-1-carboxylate
CID 16034648
1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-[4-(1-pyrrolidinylcarbonyl)phenoxy]piperidine
CID 24791615
[4-[[1-[(1-Isopropylpyrazol-4-yl)methyl]-4-piperidyl]oxy]phenyl]-pyrrolidino-methanone
CID 24819295

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one (CID 131984861) is 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one is COc1ccc(Cn2c(C)cc3c(cnn3C3CCOCC3)c2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is LWAQPJWARNOJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-11-19-18(12-21-23(19)16-7-9-26-10-8-16)20(24)22(14)13-15-3-5-17(25-2)6-4-15/h3-6,11-12,16H,7-10,13H2,1-2H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 353.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxan-4-yl)pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 131984861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).