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

C23H23Cl2N3O2 — CID 42617980

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCOC(C)(C)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H23Cl2N3O2/c1-23(2,30-3)14-27-13-12-17-20(22(27)29)26-28(19-7-5-4-6-18(19)25)21(17)15-8-10-16(24)11-9-15/h4-11H,12-14H2,1-3H3
InChIKeyZYVLQPWWJVOLAX-UHFFFAOYSA-N
MW444.36 g/mol
LogP5.27
Rot. Bonds5

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

2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 42617980) has the molecular formula C23H23Cl2N3O2 and a molecular weight of 444.36 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID42617980
Molecular FormulaC23H23Cl2N3O2
Molecular Weight444.36 g/mol
Exact Mass443.12
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCOC(C)(C)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C23H23Cl2N3O2/c1-23(2,30-3)14-27-13-12-17-20(22(27)29)26-28(19-7-5-4-6-18(19)25)21(17)15-8-10-16(24)11-9-15/h4-11H,12-14H2,1-3H3
InChIKeyZYVLQPWWJVOLAX-UHFFFAOYSA-N
XLogP5.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.36
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 42617980) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is COC(C)(C)CN1CCc2c(nn(-c3ccccc3Cl)c2-c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is ZYVLQPWWJVOLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N3O2/c1-23(2,30-3)14-27-13-12-17-20(22(27)29)26-28(19-7-5-4-6-18(19)25)21(17)15-8-10-16(24)11-9-15/h4-11H,12-14H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 444.36 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6-(2-methoxy-2-methylpropyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 42617980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).