1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one

C27H24FN3O — CID 158576359

IUPAC1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one
SMILESCc1cc(-c2ncc(CCC(=O)c3cc(C)c(-c4cccc(F)c4)cn3)cc2C)ccn1
InChIInChI=1S/C27H24FN3O/c1-17-12-25(30-16-24(17)21-5-4-6-23(28)14-21)26(32)8-7-20-11-18(2)27(31-15-20)22-9-10-29-19(3)13-22/h4-6,9-16H,7-8H2,1-3H3
InChIKeyHSSALNDDOIPHFV-UHFFFAOYSA-N
MW425.51 g/mol
LogP6.09
Rot. Bonds6

About 1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one

1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one (PubChem CID 158576359) has the molecular formula C27H24FN3O and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one
PubChem CID158576359
Molecular FormulaC27H24FN3O
Molecular Weight425.51 g/mol
Exact Mass425.19
IUPAC Name1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one
SMILESCc1cc(-c2ncc(CCC(=O)c3cc(C)c(-c4cccc(F)c4)cn3)cc2C)ccn1
InChIInChI=1S/C27H24FN3O/c1-17-12-25(30-16-24(17)21-5-4-6-23(28)14-21)26(32)8-7-20-11-18(2)27(31-15-20)22-9-10-29-19(3)13-22/h4-6,9-16H,7-8H2,1-3H3
InChIKeyHSSALNDDOIPHFV-UHFFFAOYSA-N
XLogP6.09
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.51
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one with MolForge

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Related Compounds

2-Benzoylpyridine
CID 7038
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CID 155795
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CID 2817968
2-Phenyl-1-(pyridin-2-yl)ethan-1-one
CID 256073
Benzo(b)pyrido(4,3,2-de)(1,7)phenanthrolin-8-one
CID 9860577
1-Phenyl-3-(pyridin-2-yl)propane-1,3-dione
CID 238448
Crl-8294
CID 15480973
1-Phenyl-2-(2-pyridinyl)ethanone
CID 74179
2-Methyl-1-(2-oxo-2-phenylethyl)pyridinium bromide
CID 12316824
1-Isoquinolinyl phenyl ketone
CID 280081
(2Z,6E)-4-tert-butyl-2,6-bis(pyridin-2-ylmethylene)cyclohexanone
CID 2059132
(2Z,6E)-4-methyl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one
CID 2320898

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one (CID 158576359) is 1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one is Cc1cc(-c2ncc(CCC(=O)c3cc(C)c(-c4cccc(F)c4)cn3)cc2C)ccn1.
What is the InChIKey of 1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one?
The InChIKey is HSSALNDDOIPHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O/c1-17-12-25(30-16-24(17)21-5-4-6-23(28)14-21)26(32)8-7-20-11-18(2)27(31-15-20)22-9-10-29-19(3)13-22/h4-6,9-16H,7-8H2,1-3H3.
What are the key properties of 1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one?
1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one has a molecular weight of 425.51 g/mol, XLogP of 6.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)-4-methyl-2-pyridinyl]-3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]propan-1-one is sourced from PubChem (CID 158576359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).