1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone

C25H22N2O — CID 90644880

IUPAC1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2c(C)[nH]c(-c3ccccc3)c2-c2ccccc2)nc1C
InChIInChI=1S/C25H22N2O/c1-16-21(18(3)28)14-15-22(26-16)23-17(2)27-25(20-12-8-5-9-13-20)24(23)19-10-6-4-7-11-19/h4-15,27H,1-3H3
InChIKeyQDHXRBMEFDIFHB-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.23
Rot. Bonds4

About 1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone

1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone (PubChem CID 90644880) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone
PubChem CID90644880
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2c(C)[nH]c(-c3ccccc3)c2-c2ccccc2)nc1C
InChIInChI=1S/C25H22N2O/c1-16-21(18(3)28)14-15-22(26-16)23-17(2)27-25(20-12-8-5-9-13-20)24(23)19-10-6-4-7-11-19/h4-15,27H,1-3H3
InChIKeyQDHXRBMEFDIFHB-UHFFFAOYSA-N
XLogP6.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone (CID 90644880) is 1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone is CC(=O)c1ccc(-c2c(C)[nH]c(-c3ccccc3)c2-c2ccccc2)nc1C.
What is the InChIKey of 1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone?
The InChIKey is QDHXRBMEFDIFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-16-21(18(3)28)14-15-22(26-16)23-17(2)27-25(20-12-8-5-9-13-20)24(23)19-10-6-4-7-11-19/h4-15,27H,1-3H3.
What are the key properties of 1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone?
1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone has a molecular weight of 366.46 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-6-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 90644880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).