1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

C19H21F3N4 — CID 163346011

IUPAC1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCc1cccc(CN2CCC3CN(c4cc(C(F)(F)F)ccn4)CC32)n1
InChIInChI=1S/C19H21F3N4/c1-13-3-2-4-16(24-13)11-25-8-6-14-10-26(12-17(14)25)18-9-15(5-7-23-18)19(20,21)22/h2-5,7,9,14,17H,6,8,10-12H2,1H3
InChIKeyQSHDJNBAFIZHMY-UHFFFAOYSA-N
MW362.40 g/mol
LogP3.51
Rot. Bonds3

About 1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole

1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (PubChem CID 163346011) has the molecular formula C19H21F3N4 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
PubChem CID163346011
Molecular FormulaC19H21F3N4
Molecular Weight362.40 g/mol
Exact Mass362.17
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
SMILESCc1cccc(CN2CCC3CN(c4cc(C(F)(F)F)ccn4)CC32)n1
InChIInChI=1S/C19H21F3N4/c1-13-3-2-4-16(24-13)11-25-8-6-14-10-26(12-17(14)25)18-9-15(5-7-23-18)19(20,21)22/h2-5,7,9,14,17H,6,8,10-12H2,1H3
InChIKeyQSHDJNBAFIZHMY-UHFFFAOYSA-N
XLogP3.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole with MolForge

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Related Compounds

2,4-dimethyl-5-[[5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]methyl]-1,3-thiazole
CID 163349217
(3aS,6aS)-1-[(6-methyl-2-pyridinyl)methyl]-4-pyrimidin-2-yl-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole
CID 97386512
(3aR,5R,6R,7aS)-6-[(2,6-dimethyl-3-pyridinyl)oxy]-2-[4-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 172672510
(3aS,6aS)-5-[(2-butyl-4-chloro-1H-imidazol-5-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 70780165
(3aS,6aR)-4-(6-methylpyridazin-3-yl)-1-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole;tris(2,2,2-trifluoroacetic acid)
CID 155848378
[1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanamine
CID 66330460
2-(4-bromopiperidin-1-yl)-4-(trifluoromethyl)pyridine
CID 80674656
2-[4-(bromomethyl)piperidin-1-yl]-4-(trifluoromethyl)pyridine
CID 80669144
(3R,4S)-4-cyclopropyl-N,N-dimethyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;dihydrochloride
CID 154899351
1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine;dihydrochloride
CID 67243169
7-methoxy-2-[(6-methyl-2-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane
CID 131661375
(3R,4R)-4-(hydroxymethyl)-1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 155915627

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole (CID 163346011) is 1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is Cc1cccc(CN2CCC3CN(c4cc(C(F)(F)F)ccn4)CC32)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
The InChIKey is QSHDJNBAFIZHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4/c1-13-3-2-4-16(24-13)11-25-8-6-14-10-26(12-17(14)25)18-9-15(5-7-23-18)19(20,21)22/h2-5,7,9,14,17H,6,8,10-12H2,1H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole?
1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole has a molecular weight of 362.40 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]-5-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole is sourced from PubChem (CID 163346011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).