2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C20H17Cl2N3O — CID 42617976

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H17Cl2N3O/c1-2-24-12-11-15-18(20(24)26)23-25(17-6-4-3-5-16(17)22)19(15)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3
InChIKeyQOWZWLUZYDFLKV-UHFFFAOYSA-N
MW386.28 g/mol
LogP4.86
Rot. Bonds3

About 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 42617976) has the molecular formula C20H17Cl2N3O and a molecular weight of 386.28 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID42617976
Molecular FormulaC20H17Cl2N3O
Molecular Weight386.28 g/mol
Exact Mass385.07
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C20H17Cl2N3O/c1-2-24-12-11-15-18(20(24)26)23-25(17-6-4-3-5-16(17)22)19(15)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3
InChIKeyQOWZWLUZYDFLKV-UHFFFAOYSA-N
XLogP4.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.28
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 42617976) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is QOWZWLUZYDFLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O/c1-2-24-12-11-15-18(20(24)26)23-25(17-6-4-3-5-16(17)22)19(15)13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 386.28 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-ethyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 42617976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).