2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C19H17Cl2N3O — CID 67371266

IUPAC2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1-c1ccc(Cl)cc1)CN(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C19H17Cl2N3O/c20-14-4-6-16(7-5-14)24-19(25)17-8-9-23(12-18(17)22-24)11-13-2-1-3-15(21)10-13/h1-7,10,22H,8-9,11-12H2
InChIKeyNOBYTVHFKBSJNT-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.03
Rot. Bonds3

About 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 67371266) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID67371266
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESO=c1c2c([nH]n1-c1ccc(Cl)cc1)CN(Cc1cccc(Cl)c1)CC2
InChIInChI=1S/C19H17Cl2N3O/c20-14-4-6-16(7-5-14)24-19(25)17-8-9-23(12-18(17)22-24)11-13-2-1-3-15(21)10-13/h1-7,10,22H,8-9,11-12H2
InChIKeyNOBYTVHFKBSJNT-UHFFFAOYSA-N
XLogP4.03
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 67371266) is 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is O=c1c2c([nH]n1-c1ccc(Cl)cc1)CN(Cc1cccc(Cl)c1)CC2.
What is the InChIKey of 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is NOBYTVHFKBSJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c20-14-4-6-16(7-5-14)24-19(25)17-8-9-23(12-18(17)22-24)11-13-2-1-3-15(21)10-13/h1-7,10,22H,8-9,11-12H2.
What are the key properties of 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 374.27 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[(3-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 67371266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).