[2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone

C22H16FN3O — CID 10155266

IUPAC[2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)cc(-c2cccnc2)n1-c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O/c23-17-8-10-18(11-9-17)26-20(16-7-4-12-25-14-16)13-19(22(26)24)21(27)15-5-2-1-3-6-15/h1-14H,24H2
InChIKeyULBAJOKWDAFCEB-UHFFFAOYSA-N
MW357.39 g/mol
LogP4.49
Rot. Bonds4

About [2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone

[2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone (PubChem CID 10155266) has the molecular formula C22H16FN3O and a molecular weight of 357.39 g/mol. Its IUPAC name is [2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone
PubChem CID10155266
Molecular FormulaC22H16FN3O
Molecular Weight357.39 g/mol
Exact Mass357.13
IUPAC Name[2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone
SMILESNc1c(C(=O)c2ccccc2)cc(-c2cccnc2)n1-c1ccc(F)cc1
InChIInChI=1S/C22H16FN3O/c23-17-8-10-18(11-9-17)26-20(16-7-4-12-25-14-16)13-19(22(26)24)21(27)15-5-2-1-3-6-15/h1-14H,24H2
InChIKeyULBAJOKWDAFCEB-UHFFFAOYSA-N
XLogP4.49
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 58358774
(4-fluorophenyl)-pyridin-3-ylmethanone
CID 762660
[5-amino-1-(4-fluorophenyl)pyrazol-4-yl]-(3-pyridin-4-ylphenyl)methanone
CID 11624640
6-amino-5-(4-fluorobenzoyl)-1-(3-phenylphenyl)pyridin-2-one
CID 11632397
6-amino-5-benzoyl-1-phenylpyrimidin-2-one
CID 23794289
N-(4-fluorophenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067679
4-hydroxy-1,3-diphenyl-6-pyridin-3-ylpyridin-2-one
CID 54690659
methyl 1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxylate
CID 102252856
N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067752
(4-amino-3-pyridinyl)-(4-fluorophenyl)methanone
CID 11074797
(2-chloro-5-fluorophenyl)-pyridin-3-ylmethanone
CID 112694365
5-fluoro-2-pyridin-3-ylbenzoyl chloride
CID 46315579

Frequently Asked Questions

What is the IUPAC name of [2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone?
The IUPAC name of [2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone (CID 10155266) is [2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone.
What is the SMILES notation for [2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone?
The canonical SMILES for [2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone is Nc1c(C(=O)c2ccccc2)cc(-c2cccnc2)n1-c1ccc(F)cc1.
What is the InChIKey of [2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone?
The InChIKey is ULBAJOKWDAFCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN3O/c23-17-8-10-18(11-9-17)26-20(16-7-4-12-25-14-16)13-19(22(26)24)21(27)15-5-2-1-3-6-15/h1-14H,24H2.
What are the key properties of [2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone?
[2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone has a molecular weight of 357.39 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-1-(4-fluorophenyl)-5-pyridin-3-ylpyrrol-3-yl]-phenylmethanone is sourced from PubChem (CID 10155266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).