2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one

C18H13Cl2N3O — CID 42617975

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one
SMILESO=C1NCCc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2N3O/c19-12-7-5-11(6-8-12)17-13-9-10-21-18(24)16(13)22-23(17)15-4-2-1-3-14(15)20/h1-8H,9-10H2,(H,21,24)
InChIKeyJACXDKREAMALNZ-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.13
Rot. Bonds2

About 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one

2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one (PubChem CID 42617975) has the molecular formula C18H13Cl2N3O and a molecular weight of 358.23 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one
PubChem CID42617975
Molecular FormulaC18H13Cl2N3O
Molecular Weight358.23 g/mol
Exact Mass357.04
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one
SMILESO=C1NCCc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1
InChIInChI=1S/C18H13Cl2N3O/c19-12-7-5-11(6-8-12)17-13-9-10-21-18(24)16(13)22-23(17)15-4-2-1-3-14(15)20/h1-8H,9-10H2,(H,21,24)
InChIKeyJACXDKREAMALNZ-UHFFFAOYSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one (CID 42617975) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one is O=C1NCCc2c1nn(-c1ccccc1Cl)c2-c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one?
The InChIKey is JACXDKREAMALNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O/c19-12-7-5-11(6-8-12)17-13-9-10-21-18(24)16(13)22-23(17)15-4-2-1-3-14(15)20/h1-8H,9-10H2,(H,21,24).
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one has a molecular weight of 358.23 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6-dihydro-4H-pyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 42617975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).