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

C18H15N3O2S — CID 141388887

IUPAC1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCOc1ccc(Cn2nc(-c3ccsc3)c3c(=O)[nH]ccc32)cc1
InChIInChI=1S/C18H15N3O2S/c1-23-14-4-2-12(3-5-14)10-21-15-6-8-19-18(22)16(15)17(20-21)13-7-9-24-11-13/h2-9,11H,10H2,1H3,(H,19,22)
InChIKeyBUQOVSKITIPLDH-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.51
Rot. Bonds4

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

1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 141388887) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID141388887
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCOc1ccc(Cn2nc(-c3ccsc3)c3c(=O)[nH]ccc32)cc1
InChIInChI=1S/C18H15N3O2S/c1-23-14-4-2-12(3-5-14)10-21-15-6-8-19-18(22)16(15)17(20-21)13-7-9-24-11-13/h2-9,11H,10H2,1H3,(H,19,22)
InChIKeyBUQOVSKITIPLDH-UHFFFAOYSA-N
XLogP3.51
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one (CID 141388887) is 1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one is COc1ccc(Cn2nc(-c3ccsc3)c3c(=O)[nH]ccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is BUQOVSKITIPLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c1-23-14-4-2-12(3-5-14)10-21-15-6-8-19-18(22)16(15)17(20-21)13-7-9-24-11-13/h2-9,11H,10H2,1H3,(H,19,22).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one?
1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 337.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-thiophen-3-yl-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 141388887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).