5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine

C18H17F3N6 — CID 146074620

IUPAC5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccc(N2CC3CN(c4ccn5nccc5n4)CC3C2)nc1
InChIInChI=1S/C18H17F3N6/c19-18(20,21)14-1-2-15(22-7-14)25-8-12-10-26(11-13(12)9-25)16-4-6-27-17(24-16)3-5-23-27/h1-7,12-13H,8-11H2
InChIKeyOFKORNHWLVFIRL-UHFFFAOYSA-N
MW374.37 g/mol
LogP2.72
Rot. Bonds2

About 5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine

5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 146074620) has the molecular formula C18H17F3N6 and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID146074620
Molecular FormulaC18H17F3N6
Molecular Weight374.37 g/mol
Exact Mass374.15
IUPAC Name5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)(F)c1ccc(N2CC3CN(c4ccn5nccc5n4)CC3C2)nc1
InChIInChI=1S/C18H17F3N6/c19-18(20,21)14-1-2-15(22-7-14)25-8-12-10-26(11-13(12)9-25)16-4-6-27-17(24-16)3-5-23-27/h1-7,12-13H,8-11H2
InChIKeyOFKORNHWLVFIRL-UHFFFAOYSA-N
XLogP2.72
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

1-[5-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine;dihydrochloride
CID 91623900
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
2-[3-(triazol-1-yl)azetidin-1-yl]-5-(trifluoromethyl)pyridine
CID 121183769
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 126946416
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
2-[5-(trifluoromethyl)-2-pyridinyl]-1,3-dihydroisoindole
CID 171327222
2-(triazol-2-yl)-5-(trifluoromethyl)pyridine
CID 102162192
cyclopropyl-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]methanone
CID 154831085
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63721228
[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 67116391
3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 34042724

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine (CID 146074620) is 5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine is FC(F)(F)c1ccc(N2CC3CN(c4ccn5nccc5n4)CC3C2)nc1.
What is the InChIKey of 5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is OFKORNHWLVFIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6/c19-18(20,21)14-1-2-15(22-7-14)25-8-12-10-26(11-13(12)9-25)16-4-6-27-17(24-16)3-5-23-27/h1-7,12-13H,8-11H2.
What are the key properties of 5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine?
5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 374.37 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 146074620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).