2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine

C25H22F6N4 — CID 58444822

IUPAC2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine
SMILESCc1cc(C)n(-c2cccc(C(C)(C)c3cccc(-n4cc(C(F)(F)F)cc4C(F)(F)F)n3)n2)c1
InChIInChI=1S/C25H22F6N4/c1-15-11-16(2)34(13-15)21-9-5-7-18(32-21)23(3,4)19-8-6-10-22(33-19)35-14-17(24(26,27)28)12-20(35)25(29,30)31/h5-14H,1-4H3
InChIKeyAVDRKMQXTLTJBC-UHFFFAOYSA-N
MW492.47 g/mol
LogP7.04
Rot. Bonds4

About 2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine

2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 58444822) has the molecular formula C25H22F6N4 and a molecular weight of 492.47 g/mol. Its IUPAC name is 2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

Compound Name2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine
PubChem CID58444822
Molecular FormulaC25H22F6N4
Molecular Weight492.47 g/mol
Exact Mass492.17
IUPAC Name2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine
SMILESCc1cc(C)n(-c2cccc(C(C)(C)c3cccc(-n4cc(C(F)(F)F)cc4C(F)(F)F)n3)n2)c1
InChIInChI=1S/C25H22F6N4/c1-15-11-16(2)34(13-15)21-9-5-7-18(32-21)23(3,4)19-8-6-10-22(33-19)35-14-17(24(26,27)28)12-20(35)25(29,30)31/h5-14H,1-4H3
InChIKeyAVDRKMQXTLTJBC-UHFFFAOYSA-N
XLogP7.04
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.47
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-phenyl-2-(trifluoromethyl)pyrrole
CID 123412423
4-fluoro-2-(3-methylpyrazol-1-yl)-6-[2-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 158279519
6-methyl-3-[6-(trifluoromethyl)-2-pyridinyl]quinazolin-4-one
CID 163260233
2-(3-methylsulfanyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-methylsulfanyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)
CID 58084451
2-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-6-[2-[6-(3-tert-butyl-5H-pyrazol-5-id-1-yl)-2-pyridinyl]propan-2-yl]pyridine;palladium(2+)
CID 54687240
3,6-bis(2,4-dimethylpyrrol-1-yl)-1,2,4,5-tetrazine
CID 70700865
2-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-6-[2-[6-[3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 58161891
3-[2-[2-methyl-1-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]ethynyl]benzonitrile
CID 11256660
2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine
CID 59645733
5-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidine
CID 162568225
5-methyl-1-[3-(trifluoromethyl)phenyl]pyridine-2-thione
CID 18439312
1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one
CID 25093743

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine?
The IUPAC name of 2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine (CID 58444822) is 2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine.
What is the SMILES notation for 2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine?
The canonical SMILES for 2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine is Cc1cc(C)n(-c2cccc(C(C)(C)c3cccc(-n4cc(C(F)(F)F)cc4C(F)(F)F)n3)n2)c1.
What is the InChIKey of 2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine?
The InChIKey is AVDRKMQXTLTJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F6N4/c1-15-11-16(2)34(13-15)21-9-5-7-18(32-21)23(3,4)19-8-6-10-22(33-19)35-14-17(24(26,27)28)12-20(35)25(29,30)31/h5-14H,1-4H3.
What are the key properties of 2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine?
2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 492.47 g/mol, XLogP of 7.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(trifluoromethyl)pyrrol-1-yl]-6-[2-[6-(2,4-dimethylpyrrol-1-yl)-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 58444822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).