5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one

C18H19N3O3 — CID 131984798

IUPAC5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(Cn2c(C)cc3c(cnn3C3COC3)c2=O)cc1
InChIInChI=1S/C18H19N3O3/c1-12-7-17-16(8-19-21(17)14-10-24-11-14)18(22)20(12)9-13-3-5-15(23-2)6-4-13/h3-8,14H,9-11H2,1-2H3
InChIKeyOHTPHQPYCOLWAE-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.13
Rot. Bonds4

About 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one

5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one (PubChem CID 131984798) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one
PubChem CID131984798
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(Cn2c(C)cc3c(cnn3C3COC3)c2=O)cc1
InChIInChI=1S/C18H19N3O3/c1-12-7-17-16(8-19-21(17)14-10-24-11-14)18(22)20(12)9-13-3-5-15(23-2)6-4-13/h3-8,14H,9-11H2,1-2H3
InChIKeyOHTPHQPYCOLWAE-UHFFFAOYSA-N
XLogP2.13
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-methylpyrrolo[2,3-d]pyridazine
CID 19437773
11-[(4-methoxyphenyl)methyl]-6-(oxan-4-yl)-1,5,6,8,11-pentazatricyclo[7.4.0.03,7]trideca-3(7),4,8-trien-2-one
CID 118956474
7-[(4-methoxyphenyl)methyl]-6-methyl-3-(1,4-oxazepan-4-yl)imidazo[1,5-a]pyrazin-8-one
CID 122652220
7-bromo-5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-3-yl)pyrazolo[4,5-c]quinolin-4-one
CID 89495074
5-[(2,4-dimethoxyphenyl)methyl]-1-(oxan-4-yl)pyrazolo[4,5-c]quinolin-4-one
CID 86686362
3-[(4-methoxyphenyl)methyl]-2-methyl-7-(oxan-4-yl)imidazo[5,1-f][1,2,4]triazin-4-one
CID 122637774
12-[(2,5-dimethylmorpholin-4-yl)methyl]-8-[(4-methoxyphenyl)methyl]-3,5,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
CID 72706258
4-hydroxy-7-methoxy-1-[(4-methoxyphenyl)methyl]-3-methyl-1,5-naphthyridin-2-one
CID 167037612
11-benzyl-12-methyl-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 30465288
6-amino-7-chloro-3-[(4-methoxyphenyl)methyl]-2-methylquinazolin-4-one
CID 43812768
6-amino-4-chloro-8-[(4-methoxyphenyl)methyl]-2-methylpyrido[2,3-d]pyrimidin-7-one
CID 167527245
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one (CID 131984798) is 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one is COc1ccc(Cn2c(C)cc3c(cnn3C3COC3)c2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is OHTPHQPYCOLWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-7-17-16(8-19-21(17)14-10-24-11-14)18(22)20(12)9-13-3-5-15(23-2)6-4-13/h3-8,14H,9-11H2,1-2H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one?
5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 325.37 g/mol, XLogP of 2.13, 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-(oxetan-3-yl)pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 131984798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).