5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide

C21H15BrFN3O — CID 91241789

IUPAC5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12
InChIInChI=1S/C21H15BrFN3O/c22-15-6-9-19-17(11-15)18(21(27)25-20-3-1-2-10-24-20)13-26(19)12-14-4-7-16(23)8-5-14/h1-11,13H,12H2,(H,24,25,27)
InChIKeyYOISTWXJCAMURQ-UHFFFAOYSA-N
MW424.27 g/mol
LogP5.24
Rot. Bonds4

About 5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide

5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide (PubChem CID 91241789) has the molecular formula C21H15BrFN3O and a molecular weight of 424.27 g/mol. Its IUPAC name is 5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide
PubChem CID91241789
Molecular FormulaC21H15BrFN3O
Molecular Weight424.27 g/mol
Exact Mass423.04
IUPAC Name5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12
InChIInChI=1S/C21H15BrFN3O/c22-15-6-9-19-17(11-15)18(21(27)25-20-3-1-2-10-24-20)13-26(19)12-14-4-7-16(23)8-5-14/h1-11,13H,12H2,(H,24,25,27)
InChIKeyYOISTWXJCAMURQ-UHFFFAOYSA-N
XLogP5.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.27
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Azakenpaullone
CID 6538896
7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135493519
17-Bromo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one
CID 15549947
8-fluoro-1-pyrrolidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582565
8-fluoro-1-piperidin-1-yl-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582568
1-(cyclohexylamino)-8-fluoro-5H-pyrido[4,3-b]indole-4-carboxamide
CID 23582570
(S)-N-ethyl-1-methyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)-1H-indole-3-carboxamide
CID 46886503
1-[2-[(1R,3S,5R)-3-[(6-bromo-2-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indole-3-carboxamide
CID 89184242
6-bromo-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 2965406
3-(3-Bromo-phenyl)-2-[2-(1H-indol-3-yl)-ethyl]-3H-quinazolin-4-one
CID 14843029
2-[2-(5-Bromo-1H-indol-3-yl)-ethyl]-3-(3-ethyl-phenyl)-3H-quinazolin-4-one
CID 14843041
2-[2-(5-Bromo-1H-indol-3-yl)-propyl]-3-(3-ethyl-phenyl)-3H-quinazolin-4-one
CID 14843042

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide?
The IUPAC name of 5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide (CID 91241789) is 5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide.
What is the SMILES notation for 5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide?
The canonical SMILES for 5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide is O=C(Nc1ccccn1)c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide?
The InChIKey is YOISTWXJCAMURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrFN3O/c22-15-6-9-19-17(11-15)18(21(27)25-20-3-1-2-10-24-20)13-26(19)12-14-4-7-16(23)8-5-14/h1-11,13H,12H2,(H,24,25,27).
What are the key properties of 5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide?
5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide has a molecular weight of 424.27 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-fluorophenyl)methyl]-N-pyridin-2-ylindole-3-carboxamide is sourced from PubChem (CID 91241789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).