[(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile

C94H101ClF15N29O5 — CID 159908172

About [(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile

[(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile (PubChem CID 159908172) has the molecular formula C94H101ClF15N29O5 and a molecular weight of 2037.46 g/mol. Its IUPAC name is [(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile.

Molecular Properties

• Compound Name: [(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile
• PubChem CID: 159908172
• Molecular Formula: C94H101ClF15N29O5
• Molecular Weight: 2037.46 g/mol
• Exact Mass: 2035.80
• IUPAC Name: [(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile
• SMILES: COc1cnc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)ccnc2c1.C[C@@H]1CN(c2c(Cl)cnc3c2CCN(c2ccccn2)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.C[C@@H]1CN(c2ccnc3c2CCN(CC(F)(F)F)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.C[C@@H]1CN(c2ccnc3cc(C#N)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
• InChI: InChI=1S/C26H28ClF3N8O.C23H27F6N7O.C23H22F3N7O.C22H24F3N7O2/c1-16-13-36(23-18-6-8-35(21-4-2-3-7-31-21)14-20(18)32-12-19(23)27)9-5-17(16)24(39)37-10-11-38-22(15-37)33-34-25(38)26(28,29)30;1-14-10-34(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;1-14-12-31(19-4-6-28-18-10-15(11-27)2-3-17(18)19)7-5-16(14)21(34)32-8-9-33-20(13-32)29-30-22(33)23(24,25)26;1-13-11-30(17-3-5-26-16-9-14(34-2)10-27-19(16)17)6-4-15(13)20(33)31-7-8-32-18(12-31)28-29-21(32)22(23,24)25/h2-4,7,12,16-17H,5-6,8-11,13-15H2,1H3;2,5,14-15H,3-4,6-13H2,1H3;2-4,6,10,14,16H,5,7-9,12-13H2,1H3;3,5,9-10,13,15H,4,6-8,11-12H2,1-2H3/t16-,17+;14-,15+;14-,16+;13-,15+/m1111/s1
• InChIKey: NWVLUPWGDPLFDC-GDYJOYCISA-N
• XLogP: 12.90
• TPSA: 333.88 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 11
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2037.46
LogP ≤ 5	12.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of [(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile?

The IUPAC name of [(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile (CID 159908172) is [(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile.

What is the SMILES notation for [(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile?

The canonical SMILES for [(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile is COc1cnc2c(N3CC[C@H](C(=O)N4CCn5c(nnc5C(F)(F)F)C4)[C@H](C)C3)ccnc2c1.C[C@@H]1CN(c2c(Cl)cnc3c2CCN(c2ccccn2)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.C[C@@H]1CN(c2ccnc3c2CCN(CC(F)(F)F)C3)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.C[C@@H]1CN(c2ccnc3cc(C#N)ccc23)CC[C@@H]1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.

What is the InChIKey of [(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile?

The InChIKey is NWVLUPWGDPLFDC-GDYJOYCISA-N. The full InChI is InChI=1S/C26H28ClF3N8O.C23H27F6N7O.C23H22F3N7O.C22H24F3N7O2/c1-16-13-36(23-18-6-8-35(21-4-2-3-7-31-21)14-20(18)32-12-19(23)27)9-5-17(16)24(39)37-10-11-38-22(15-37)33-34-25(38)26(28,29)30;1-14-10-34(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;1-14-12-31(19-4-6-28-18-10-15(11-27)2-3-17(18)19)7-5-16(14)21(34)32-8-9-33-20(13-32)29-30-22(33)23(24,25)26;1-13-11-30(17-3-5-26-16-9-14(34-2)10-27-19(16)17)6-4-15(13)20(33)31-7-8-32-18(12-31)28-29-21(32)22(23,24)25/h2-4,7,12,16-17H,5-6,8-11,13-15H2,1H3;2,5,14-15H,3-4,6-13H2,1H3;2-4,6,10,14,16H,5,7-9,12-13H2,1H3;3,5,9-10,13,15H,4,6-8,11-12H2,1-2H3/t16-,17+;14-,15+;14-,16+;13-,15+/m1111/s1.

What are the key properties of [(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile?

[(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile has a molecular weight of 2037.46 g/mol, XLogP of 12.90, 11 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [(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;[(3S,4S)-1-(7-methoxy-1,5-naphthyridin-4-yl)-3-methylpiperidin-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;4-[(3S,4S)-3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-7-carbonitrile is sourced from PubChem (CID 159908172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).