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

C21H25N3O3 — CID 131984824

IUPAC5-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(Cn2c(C)cc3c(cnn3C3(C)CCOCC3)c2=O)cc1
InChIInChI=1S/C21H25N3O3/c1-15-12-19-18(13-22-24(19)21(2)8-10-27-11-9-21)20(25)23(15)14-16-4-6-17(26-3)7-5-16/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyVWDZYEFJJSYZME-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.09
Rot. Bonds4

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

5-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one (PubChem CID 131984824) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
PubChem CID131984824
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name5-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one
SMILESCOc1ccc(Cn2c(C)cc3c(cnn3C3(C)CCOCC3)c2=O)cc1
InChIInChI=1S/C21H25N3O3/c1-15-12-19-18(13-22-24(19)21(2)8-10-27-11-9-21)20(25)23(15)14-16-4-6-17(26-3)7-5-16/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyVWDZYEFJJSYZME-UHFFFAOYSA-N
XLogP3.09
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.09
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
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N-(3-methoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850352
[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
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US10138229, Example 29
CID 89968957
[4-(2-Methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone
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5-(4-methoxybenzyl)-4-oxo-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide
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[4-(2-methoxyphenyl)piperazino](1-phenyl-5-propyl-1H-pyrazol-4-yl)methanone
CID 2811414
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
N-(3-amino-3-oxopropyl)-1-benzyl-5-(4-methylphenyl)-N-[(4-propan-2-yloxyphenyl)methyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one (CID 131984824) is 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one is COc1ccc(Cn2c(C)cc3c(cnn3C3(C)CCOCC3)c2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
The InChIKey is VWDZYEFJJSYZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15-12-19-18(13-22-24(19)21(2)8-10-27-11-9-21)20(25)23(15)14-16-4-6-17(26-3)7-5-16/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one?
5-[(4-methoxyphenyl)methyl]-6-methyl-1-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one has a molecular weight of 367.45 g/mol, XLogP of 3.09, 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-(4-methyloxan-4-yl)pyrazolo[4,5-c]pyridin-4-one is sourced from PubChem (CID 131984824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).