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

C18H18F3N5O — CID 126858134

IUPAC[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1cc(N2CC3CN(C(=O)c4ccc(C(F)(F)F)nc4)CC3C2)ncn1
InChIInChI=1S/C18H18F3N5O/c1-11-4-16(24-10-23-11)25-6-13-8-26(9-14(13)7-25)17(27)12-2-3-15(22-5-12)18(19,20)21/h2-5,10,13-14H,6-9H2,1H3
InChIKeyIOIXRIWBBJXNKL-UHFFFAOYSA-N
MW377.37 g/mol
LogP2.41
Rot. Bonds2

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

[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 126858134) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is [2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID126858134
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCc1cc(N2CC3CN(C(=O)c4ccc(C(F)(F)F)nc4)CC3C2)ncn1
InChIInChI=1S/C18H18F3N5O/c1-11-4-16(24-10-23-11)25-6-13-8-26(9-14(13)7-25)17(27)12-2-3-15(22-5-12)18(19,20)21/h2-5,10,13-14H,6-9H2,1H3
InChIKeyIOIXRIWBBJXNKL-UHFFFAOYSA-N
XLogP2.41
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 51931215
cyclobutyl-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 126858119
[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122333070
(3S,4S)-4-methyl-1-[6-(trifluoromethyl)pyridine-3-carbonyl]pyrrolidine-3-carboxamide
CID 128984135
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
[3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)oxy]azetidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126853689
[4-(6-methoxy-2-methylpyrimidin-4-yl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122332338
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
[4-(3-methylphenyl)piperazin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 35875973
1,3-thiazolidin-3-yl-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122332091

Frequently Asked Questions

What is the IUPAC name of [2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 126858134) is [2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is Cc1cc(N2CC3CN(C(=O)c4ccc(C(F)(F)F)nc4)CC3C2)ncn1.
What is the InChIKey of [2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is IOIXRIWBBJXNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5O/c1-11-4-16(24-10-23-11)25-6-13-8-26(9-14(13)7-25)17(27)12-2-3-15(22-5-12)18(19,20)21/h2-5,10,13-14H,6-9H2,1H3.
What are the key properties of [2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 377.37 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 126858134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).