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

C19H21N3O3 — CID 131984959

IUPAC5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(Cn2c(C)cc3c(cnn3C3CCOC3)c2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-13-9-18-17(10-20-22(18)15-7-8-25-12-15)19(23)21(13)11-14-3-5-16(24-2)6-4-14/h3-6,9-10,15H,7-8,11-12H2,1-2H3
InChIKeyVJXIKYZGNVVTHA-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.52
Rot. Bonds4

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

5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one (PubChem CID 131984959) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one
PubChem CID131984959
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(Cn2c(C)cc3c(cnn3C3CCOC3)c2=O)cc1
InChIInChI=1S/C19H21N3O3/c1-13-9-18-17(10-20-22(18)15-7-8-25-12-15)19(23)21(13)11-14-3-5-16(24-2)6-4-14/h3-6,9-10,15H,7-8,11-12H2,1-2H3
InChIKeyVJXIKYZGNVVTHA-UHFFFAOYSA-N
XLogP2.52
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.52
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
[4-(2-Methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone
CID 2810968
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
N-(3-amino-3-oxopropyl)-1-benzyl-5-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
CID 155554067
N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 118473232
N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 118473233
3-cyano-N-[(1S)-1-[4-[(3R)-1-[4-(cyclopropylmethoxy)phenyl]pyrrolidin-3-yl]oxyphenyl]ethyl]-1-methylpyrazole-4-carboxamide
CID 118473241
US10364238, Example 11
CID 121365073
N-{4-[(4-methoxybenzyl)amino]-4-oxobutyl}-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 2766105
1-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-[4-(1-pyrrolidinylcarbonyl)phenoxy]piperidine
CID 24817057
[4-[1-[(1-Ethyl-5-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24817567

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one (CID 131984959) is 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one is COc1ccc(Cn2c(C)cc3c(cnn3C3CCOC3)c2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is VJXIKYZGNVVTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-9-18-17(10-20-22(18)15-7-8-25-12-15)19(23)21(13)11-14-3-5-16(24-2)6-4-14/h3-6,9-10,15H,7-8,11-12H2,1-2H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one?
5-[(4-methoxyphenyl)methyl]-6-methyl-1-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 339.40 g/mol, XLogP of 2.52, 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-(oxolan-3-yl)pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 131984959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).