4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine

C21H20F3N3 — CID 19065051

IUPAC4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine
SMILESFC(F)(F)c1cccc(-c2[nH]c(C3CCNCC3)cc2-c2ccncc2)c1
InChIInChI=1S/C21H20F3N3/c22-21(23,24)17-3-1-2-16(12-17)20-18(14-4-8-25-9-5-14)13-19(27-20)15-6-10-26-11-7-15/h1-5,8-9,12-13,15,26-27H,6-7,10-11H2
InChIKeyROVWJCVPCFHULJ-UHFFFAOYSA-N
MW371.41 g/mol
LogP5.23
Rot. Bonds3

About 4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine

4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine (PubChem CID 19065051) has the molecular formula C21H20F3N3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine
PubChem CID19065051
Molecular FormulaC21H20F3N3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine
SMILESFC(F)(F)c1cccc(-c2[nH]c(C3CCNCC3)cc2-c2ccncc2)c1
InChIInChI=1S/C21H20F3N3/c22-21(23,24)17-3-1-2-16(12-17)20-18(14-4-8-25-9-5-14)13-19(27-20)15-6-10-26-11-7-15/h1-5,8-9,12-13,15,26-27H,6-7,10-11H2
InChIKeyROVWJCVPCFHULJ-UHFFFAOYSA-N
XLogP5.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.41
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl 4-[5-pyridin-4-yl-4-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl]piperidine-1-carboxylate
CID 141274437
5-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2778960
4-[5-(1-methylpiperidin-4-yl)-3-pyridin-4-yl-1H-pyrrol-2-yl]phenol
CID 135964363
2-piperidin-4-yl-4-(trifluoromethyl)pyridine
CID 18413985
N,N-dimethyl-4-[2-piperidin-4-yl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]pyrimidin-2-amine
CID 15840626
N-pyrrolidin-3-yl-4-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 168909107
[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-morpholin-2-ylmethanone
CID 22958985
6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 56947353
2-[3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[4,5-c]pyridine
CID 115065495
4-[3-(cyclopropylmethyl)-5-[3-(trifluoromethyl)phenyl]imidazol-4-yl]pyridine
CID 22464134
2-[3-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]-3-[3-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine
CID 170762389
2-fluoro-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]pyridine
CID 133089826

Frequently Asked Questions

What is the IUPAC name of 4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine?
The IUPAC name of 4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine (CID 19065051) is 4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine.
What is the SMILES notation for 4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine?
The canonical SMILES for 4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine is FC(F)(F)c1cccc(-c2[nH]c(C3CCNCC3)cc2-c2ccncc2)c1.
What is the InChIKey of 4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine?
The InChIKey is ROVWJCVPCFHULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3/c22-21(23,24)17-3-1-2-16(12-17)20-18(14-4-8-25-9-5-14)13-19(27-20)15-6-10-26-11-7-15/h1-5,8-9,12-13,15,26-27H,6-7,10-11H2.
What are the key properties of 4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine?
4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine has a molecular weight of 371.41 g/mol, XLogP of 5.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]pyridine is sourced from PubChem (CID 19065051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).