2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride

C20H17Cl2N3O2 — CID 18329950

IUPAC2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
SMILESCOc1cccc(-c2c(C)ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c23)c1.Cl
InChIInChI=1S/C20H16ClN3O2.ClH/c1-12-18(13-4-3-5-16(10-13)26-2)19-17(11-22-12)20(25)24(23-19)15-8-6-14(21)7-9-15;/h3-11,23H,1-2H3;1H
InChIKeyKGQDRYCNWLUCOR-UHFFFAOYSA-N
MW402.28 g/mol
LogP4.77
Rot. Bonds3

About 2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride

2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride (PubChem CID 18329950) has the molecular formula C20H17Cl2N3O2 and a molecular weight of 402.28 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
PubChem CID18329950
Molecular FormulaC20H17Cl2N3O2
Molecular Weight402.28 g/mol
Exact Mass401.07
IUPAC Name2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride
SMILESCOc1cccc(-c2c(C)ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c23)c1.Cl
InChIInChI=1S/C20H16ClN3O2.ClH/c1-12-18(13-4-3-5-16(10-13)26-2)19-17(11-22-12)20(25)24(23-19)15-8-6-14(21)7-9-15;/h3-11,23H,1-2H3;1H
InChIKeyKGQDRYCNWLUCOR-UHFFFAOYSA-N
XLogP4.77
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.28
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Related Compounds

[3-[2-(4-chlorophenyl)-6-methyl-3-oxo-1H-pyrazolo[4,3-c]pyridin-7-yl]phenyl]methanesulfonamide
CID 67483712
2-(4-chlorophenyl)-7-ethyl-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one
CID 18330010
2-(3-methoxyphenyl)-7-methyl-1H-pyrazolo[4,3-c][1,6]naphthyridin-3-one
CID 134508221
2-(4-chlorophenyl)-6-methyl-7-[4-(1-oxa-8-azaspiro[4.5]dec-3-en-3-yl)phenyl]-1H-pyrazolo[4,3-c]pyridin-3-one
CID 18330015
4-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one
CID 118542012
1-(4-chlorophenyl)-2-(3-methoxyphenyl)benzimidazole
CID 134816857
1,3,5-trichloro-2-(3-methoxyphenyl)benzene
CID 57304526
1-(4-chlorophenyl)-3,5-bis(3-methoxyphenyl)-4-methylpyrazole
CID 19587327
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
6-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine
CID 117139805
6-(azirin-1-yl)-5-(3-methoxyphenyl)-1H-pyrimidin-2-one
CID 91050599
4-(4-chlorophenyl)-3-(3-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 40552549

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride (CID 18329950) is 2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride is COc1cccc(-c2c(C)ncc3c(=O)n(-c4ccc(Cl)cc4)[nH]c23)c1.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride?
The InChIKey is KGQDRYCNWLUCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2.ClH/c1-12-18(13-4-3-5-16(10-13)26-2)19-17(11-22-12)20(25)24(23-19)15-8-6-14(21)7-9-15;/h3-11,23H,1-2H3;1H.
What are the key properties of 2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride?
2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride has a molecular weight of 402.28 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-7-(3-methoxyphenyl)-6-methyl-1H-pyrazolo[4,3-c]pyridin-3-one;hydrochloride is sourced from PubChem (CID 18329950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).