5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one

C25H25N3O — CID 158795578

IUPAC5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one
SMILESCc1nn(C)c2ccc(-c3ccc(CCCC(=O)Cc4cccnc4)cc3)cc12
InChIInChI=1S/C25H25N3O/c1-18-24-16-22(12-13-25(24)28(2)27-18)21-10-8-19(9-11-21)5-3-7-23(29)15-20-6-4-14-26-17-20/h4,6,8-14,16-17H,3,5,7,15H2,1-2H3
InChIKeyVRZQUZILQCSEBQ-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.08
Rot. Bonds7

About 5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one

5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one (PubChem CID 158795578) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one.

Molecular Properties

Compound Name5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one
PubChem CID158795578
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one
SMILESCc1nn(C)c2ccc(-c3ccc(CCCC(=O)Cc4cccnc4)cc3)cc12
InChIInChI=1S/C25H25N3O/c1-18-24-16-22(12-13-25(24)28(2)27-18)21-10-8-19(9-11-21)5-3-7-23(29)15-20-6-4-14-26-17-20/h4,6,8-14,16-17H,3,5,7,15H2,1-2H3
InChIKeyVRZQUZILQCSEBQ-UHFFFAOYSA-N
XLogP5.08
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-methylphenyl)phenyl]-1-pyridin-3-ylpentan-2-one
CID 147437155
5-[4-(3H-benzimidazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one
CID 158795571
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
5-hydroxy-1-pyridin-3-ylpentan-2-one
CID 106677611
4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674494
5-phenyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-2-one
CID 105093132
1-pyridin-3-yldecan-2-one
CID 62621024
1-pyridin-3-yl-4-pyridin-4-ylbutan-2-one
CID 105127753
4-(1,3-dimethylindazol-6-yl)butanoic acid
CID 117336304
5-methyl-1-pyridin-3-ylhex-5-en-2-one
CID 114473524
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one?
The IUPAC name of 5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one (CID 158795578) is 5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one.
What is the SMILES notation for 5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one?
The canonical SMILES for 5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one is Cc1nn(C)c2ccc(-c3ccc(CCCC(=O)Cc4cccnc4)cc3)cc12.
What is the InChIKey of 5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one?
The InChIKey is VRZQUZILQCSEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-18-24-16-22(12-13-25(24)28(2)27-18)21-10-8-19(9-11-21)5-3-7-23(29)15-20-6-4-14-26-17-20/h4,6,8-14,16-17H,3,5,7,15H2,1-2H3.
What are the key properties of 5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one?
5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one has a molecular weight of 383.50 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,3-dimethylindazol-5-yl)phenyl]-1-pyridin-3-ylpentan-2-one is sourced from PubChem (CID 158795578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).