2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one

C25H24N2O2 — CID 132502686

IUPAC2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one
SMILESCC(C)C(=O)c1cccc2c3cccc(C(=O)C(C)C)c3n(-c3ccccn3)c12
InChIInChI=1S/C25H24N2O2/c1-15(2)24(28)19-11-7-9-17-18-10-8-12-20(25(29)16(3)4)23(18)27(22(17)19)21-13-5-6-14-26-21/h5-16H,1-4H3
InChIKeyFIDRNNMCUQFMBJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.86
Rot. Bonds5

About 2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one

2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one (PubChem CID 132502686) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one
PubChem CID132502686
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one
SMILESCC(C)C(=O)c1cccc2c3cccc(C(=O)C(C)C)c3n(-c3ccccn3)c12
InChIInChI=1S/C25H24N2O2/c1-15(2)24(28)19-11-7-9-17-18-10-8-12-20(25(29)16(3)4)23(18)27(22(17)19)21-13-5-6-14-26-21/h5-16H,1-4H3
InChIKeyFIDRNNMCUQFMBJ-UHFFFAOYSA-N
XLogP5.86
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[8-(4-methoxybenzoyl)-9-pyridin-2-ylcarbazol-1-yl]-(4-methoxyphenyl)methanone
CID 132502678
2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one
CID 137413391
2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one
CID 176935005
1-(4-hydroxynaphthalen-1-yl)-2-methylpropan-1-one
CID 81252338
4-pyridin-2-yl-1,2,4-dithiazolidine-3,5-dione
CID 163929369
1-(4-fluorophenyl)-9-pyridin-2-ylcarbazole
CID 71524443
methyl 2-(2-methyl-1-pyridin-2-ylindol-3-yl)acetate
CID 132539705
2-methyl-1-[1-[(1R)-1,2,2,2-tetrafluoroethyl]pyrrolo[2,3-b]pyridin-3-yl]propan-1-one
CID 118442255
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide;dihydrochloride
CID 120654138
2-(2-cycloheptyl-2-oxoethyl)-1-pyridin-2-ylindole-3-carbaldehyde
CID 177435439
2,4-dioxo-6-propan-2-yl-3-pyridin-2-yl-1H-pyrimidine-5-carboxylic acid
CID 154634602
1-[2-(3-methoxyanilino)-3-pyridinyl]-2-methylpropan-1-one
CID 54313685

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one (CID 132502686) is 2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one is CC(C)C(=O)c1cccc2c3cccc(C(=O)C(C)C)c3n(-c3ccccn3)c12.
What is the InChIKey of 2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one?
The InChIKey is FIDRNNMCUQFMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-15(2)24(28)19-11-7-9-17-18-10-8-12-20(25(29)16(3)4)23(18)27(22(17)19)21-13-5-6-14-26-21/h5-16H,1-4H3.
What are the key properties of 2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one?
2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one has a molecular weight of 384.48 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[8-(2-methylpropanoyl)-9-pyridin-2-ylcarbazol-1-yl]propan-1-one is sourced from PubChem (CID 132502686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).