6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one

C20H19N3O — CID 752155

IUPAC6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2ccncc2)C1
InChIInChI=1S/C20H19N3O/c1-20(2)12-16-18(17(24)13-20)19(14-8-10-21-11-9-14)23(22-16)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyOPMZNYWGVVDUKG-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.09
Rot. Bonds2

About 6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one

6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one (PubChem CID 752155) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one
PubChem CID752155
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one
SMILESCC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2ccncc2)C1
InChIInChI=1S/C20H19N3O/c1-20(2)12-16-18(17(24)13-20)19(14-8-10-21-11-9-14)23(22-16)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3
InChIKeyOPMZNYWGVVDUKG-UHFFFAOYSA-N
XLogP4.09
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one?
The IUPAC name of 6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one (CID 752155) is 6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one.
What is the SMILES notation for 6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one?
The canonical SMILES for 6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one is CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2ccncc2)C1.
What is the InChIKey of 6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one?
The InChIKey is OPMZNYWGVVDUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-20(2)12-16-18(17(24)13-20)19(14-8-10-21-11-9-14)23(22-16)15-6-4-3-5-7-15/h3-11H,12-13H2,1-2H3.
What are the key properties of 6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one?
6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one has a molecular weight of 317.39 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-2-phenyl-3-pyridin-4-yl-5,7-dihydroindazol-4-one is sourced from PubChem (CID 752155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).