[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

C25H24F3N5O — CID 67116391

IUPAC[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
SMILESCc1ccc(-c2ncccc2C)c(C(=O)N2CC3CN(c4ccc(C(F)(F)F)cn4)CC3C2)n1
InChIInChI=1S/C25H24F3N5O/c1-15-4-3-9-29-22(15)20-7-5-16(2)31-23(20)24(34)33-13-17-11-32(12-18(17)14-33)21-8-6-19(10-30-21)25(26,27)28/h3-10,17-18H,11-14H2,1-2H3
InChIKeyOYUXMRUPTZQPSK-UHFFFAOYSA-N
MW467.50 g/mol
LogP4.38
Rot. Bonds3

About [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

[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 (PubChem CID 67116391) has the molecular formula C25H24F3N5O and a molecular weight of 467.50 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID67116391
Molecular FormulaC25H24F3N5O
Molecular Weight467.50 g/mol
Exact Mass467.19
IUPAC Name[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
SMILESCc1ccc(-c2ncccc2C)c(C(=O)N2CC3CN(c4ccc(C(F)(F)F)cn4)CC3C2)n1
InChIInChI=1S/C25H24F3N5O/c1-15-4-3-9-29-22(15)20-7-5-16(2)31-23(20)24(34)33-13-17-11-32(12-18(17)14-33)21-8-6-19(10-30-21)25(26,27)28/h3-10,17-18H,11-14H2,1-2H3
InChIKeyOYUXMRUPTZQPSK-UHFFFAOYSA-N
XLogP4.38
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.50
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [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 with MolForge

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Related Compounds

[6-methyl-3-(3-methyl-2-pyridinyl)-2-pyridinyl]-[(1S,4R,6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 118876639
6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyridine-2-carboxamide
CID 46465991
4-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 63721228
(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1S,3R,4S,6R)-3-methyl-6-[[5-(trifluoromethyl)-2-pyridinyl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118939858
cyclopropyl-[5-[5-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-1-yl]methanone
CID 154831085
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
[(3aR,4S,6aS)-2-[5-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamic acid
CID 67400916
(3S,5R)-3,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 67046038
[(2S,3R)-5,5-difluoro-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 130298545
N-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
CID 165434491
2-methylsulfanyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 129355700
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 4878405

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1ccc(-c2ncccc2C)c(C(=O)N2CC3CN(c4ccc(C(F)(F)F)cn4)CC3C2)n1.
What is the InChIKey of [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?
The InChIKey is OYUXMRUPTZQPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O/c1-15-4-3-9-29-22(15)20-7-5-16(2)31-23(20)24(34)33-13-17-11-32(12-18(17)14-33)21-8-6-19(10-30-21)25(26,27)28/h3-10,17-18H,11-14H2,1-2H3.
What are the key properties of [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?
[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 has a molecular weight of 467.50 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 67116391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).