[(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C23H27F6N7O — CID 134265454

IUPAC[(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@@H]1CN(c2ccnc3c2CCN(CC(F)(F)F)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C23H27F6N7O/c1-14-10-34(18-2-5-30-17-11-33(6-3-16(17)18)13-22(24,25)26)7-4-15(14)20(37)35-8-9-36-19(12-35)31-32-21(36)23(27,28)29/h2,5,14-15H,3-4,6-13H2,1H3/t14-,15+/m1/s1
InChIKeyUSDVVSDIZIRBPM-CABCVRRESA-N
MW531.51 g/mol
LogP3.12
Rot. Bonds3

About [(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

[(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 134265454) has the molecular formula C23H27F6N7O and a molecular weight of 531.51 g/mol. Its IUPAC name is [(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID134265454
Molecular FormulaC23H27F6N7O
Molecular Weight531.51 g/mol
Exact Mass531.22
IUPAC Name[(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@@H]1CN(c2ccnc3c2CCN(CC(F)(F)F)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C23H27F6N7O/c1-14-10-34(18-2-5-30-17-11-33(6-3-16(17)18)13-22(24,25)26)7-4-15(14)20(37)35-8-9-36-19(12-35)31-32-21(36)23(27,28)29/h2,5,14-15H,3-4,6-13H2,1H3/t14-,15+/m1/s1
InChIKeyUSDVVSDIZIRBPM-CABCVRRESA-N
XLogP3.12
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.51
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone with MolForge

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Related Compounds

[(3S,4S)-1-(3-chloro-7-pyridin-2-yl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134264774
[(3S,4S)-1-[3-chloro-7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134264956
[(3S,4S)-1-[3-chloro-7-(cyclopropylmethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134265399
[(3S,4S)-1-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134265434
[(3S,4S)-3-methyl-1-(7-phenylquinolin-4-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276017
[(3S,4S)-1-[7-(1,1-difluoroethyl)-3-methylquinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276024
[(3S,4S)-1-[3-chloro-7-(1,1-difluoroethyl)quinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276043
[(3S,4S)-3-methyl-1-(7-pyridin-4-ylquinolin-4-yl)piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276060
[(3S,4S)-3-methyl-1-[3-(trifluoromethyl)quinolin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276084
[(3S,4S)-1-(3-chloro-8-fluoroquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276085
[(3S,4S)-1-(3-chloro-7-fluoroquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276087
[(3S,4S)-1-[7-cyclopropyl-3-(difluoromethyl)quinolin-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276088

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 134265454) is [(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for [(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is C[C@@H]1CN(c2ccnc3c2CCN(CC(F)(F)F)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of [(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is USDVVSDIZIRBPM-CABCVRRESA-N. The full InChI is InChI=1S/C23H27F6N7O/c1-14-10-34(18-2-5-30-17-11-33(6-3-16(17)18)13-22(24,25)26)7-4-15(14)20(37)35-8-9-36-19(12-35)31-32-21(36)23(27,28)29/h2,5,14-15H,3-4,6-13H2,1H3/t14-,15+/m1/s1.
What are the key properties of [(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 531.51 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-methyl-1-[7-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-1,7-naphthyridin-4-yl]piperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 134265454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).