N-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide

C28H24F4N4O — CID 141269414

IUPACN-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCC(F)(c3ccccc3)CC2)nc1)c1cc(-c2ccccc2)[nH]c1C(F)(F)F
InChIInChI=1S/C28H24F4N4O/c29-27(20-9-5-2-6-10-20)13-15-36(16-14-27)24-12-11-21(18-33-24)34-26(37)22-17-23(19-7-3-1-4-8-19)35-25(22)28(30,31)32/h1-12,17-18,35H,13-16H2,(H,34,37)
InChIKeyOVUWFZTYSZKLSJ-UHFFFAOYSA-N
MW508.52 g/mol
LogP6.81
Rot. Bonds5

About N-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide

N-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide (PubChem CID 141269414) has the molecular formula C28H24F4N4O and a molecular weight of 508.52 g/mol. Its IUPAC name is N-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide
PubChem CID141269414
Molecular FormulaC28H24F4N4O
Molecular Weight508.52 g/mol
Exact Mass508.19
IUPAC NameN-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccc(N2CCC(F)(c3ccccc3)CC2)nc1)c1cc(-c2ccccc2)[nH]c1C(F)(F)F
InChIInChI=1S/C28H24F4N4O/c29-27(20-9-5-2-6-10-20)13-15-36(16-14-27)24-12-11-21(18-33-24)34-26(37)22-17-23(19-7-3-1-4-8-19)35-25(22)28(30,31)32/h1-12,17-18,35H,13-16H2,(H,34,37)
InChIKeyOVUWFZTYSZKLSJ-UHFFFAOYSA-N
XLogP6.81
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.52
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]-4-phenyl-5-(trifluoromethyl)thiophene-2-carboxamide
CID 67412260
N-[6-[4-[2-(4-fluorophenyl)-2-hydroxyacetyl]piperazin-1-yl]-3-pyridinyl]-5-phenyl-3-(trifluoromethyl)-1H-pyrrole-2-carboxamide
CID 141269422
N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70001265
N-[6-[3-(3-fluorophenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyridinyl]-5-phenyl-3-(trifluoromethyl)-1H-pyrrole-2-carboxamide
CID 141269429
N-[6-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(trifluoromethyl)benzamide
CID 42857478
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 16757011
2-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014414
N-[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 113015459
2-(4-fluorobenzoyl)-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 46553100
N-(6-piperidin-1-yl-3-pyridinyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612164
N-[6-(azepan-1-yl)-3-pyridinyl]-4-chloro-2-(dimethylamino)-5-phenylbenzamide
CID 162096371
5-propan-2-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39058873

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide (CID 141269414) is N-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide is O=C(Nc1ccc(N2CCC(F)(c3ccccc3)CC2)nc1)c1cc(-c2ccccc2)[nH]c1C(F)(F)F.
What is the InChIKey of N-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
The InChIKey is OVUWFZTYSZKLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F4N4O/c29-27(20-9-5-2-6-10-20)13-15-36(16-14-27)24-12-11-21(18-33-24)34-26(37)22-17-23(19-7-3-1-4-8-19)35-25(22)28(30,31)32/h1-12,17-18,35H,13-16H2,(H,34,37).
What are the key properties of N-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide?
N-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide has a molecular weight of 508.52 g/mol, XLogP of 6.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluoro-4-phenylpiperidin-1-yl)-3-pyridinyl]-5-phenyl-2-(trifluoromethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 141269414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).