5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one

C20H19N3O — CID 3498086

IUPAC5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one
SMILESCC1Cc2nn(-c3ccccc3)c(-c3cccnc3)c2C(=O)C1C
InChIInChI=1S/C20H19N3O/c1-13-11-17-18(20(24)14(13)2)19(15-7-6-10-21-12-15)23(22-17)16-8-4-3-5-9-16/h3-10,12-14H,11H2,1-2H3
InChIKeyBQFAPGKABHKJDF-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.95
Rot. Bonds2

About 5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one

5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 3498086) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID3498086
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one
SMILESCC1Cc2nn(-c3ccccc3)c(-c3cccnc3)c2C(=O)C1C
InChIInChI=1S/C20H19N3O/c1-13-11-17-18(20(24)14(13)2)19(15-7-6-10-21-12-15)23(22-17)16-8-4-3-5-9-16/h3-10,12-14H,11H2,1-2H3
InChIKeyBQFAPGKABHKJDF-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one (CID 3498086) is 5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one is CC1Cc2nn(-c3ccccc3)c(-c3cccnc3)c2C(=O)C1C.
What is the InChIKey of 5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is BQFAPGKABHKJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13-11-17-18(20(24)14(13)2)19(15-7-6-10-21-12-15)23(22-17)16-8-4-3-5-9-16/h3-10,12-14H,11H2,1-2H3.
What are the key properties of 5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one?
5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 317.39 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-phenyl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 3498086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).