[(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C92H91Cl2F19N24O4 — CID 157051419

IUPAC[(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@@H]1CC(c2c(Cl)cnc3cc(C(F)F)ccc23)CCN1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.C[C@@H]1CC(c2c(F)cnc3cc(C(F)F)ccc23)CCN1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.Cc1cc(N2CC[C@H](C(=O)N3CCn4c(nnc4C(F)(F)F)C3)[C@H](C)C2)c2ccc(Cl)cc2n1.Cc1cc(N2CC[C@H](C(=O)N3CCn4c(nnc4C(F)(F)F)C3)[C@H](C)C2)c2ccc(F)c(F)c2n1
InChIInChI=1S/C23H22ClF5N6O.C23H24ClF3N6O.C23H22F6N6O.C23H23F5N6O/c1-12-8-13(19-15-3-2-14(20(25)26)9-17(15)30-10-16(19)24)4-5-34(12)22(36)33-6-7-35-18(11-33)31-32-21(35)23(27,28)29;1-13-11-31(19-9-14(2)28-18-10-15(24)3-4-17(18)19)6-5-16(13)21(34)32-7-8-33-20(12-32)29-30-22(33)23(25,26)27;1-12-8-13(19-15-3-2-14(20(25)26)9-17(15)30-10-16(19)24)4-5-34(12)22(36)33-6-7-35-18(11-33)31-32-21(35)23(27,28)29;1-12-10-32(17-9-13(2)29-20-15(17)3-4-16(24)19(20)25)6-5-14(12)21(35)33-7-8-34-18(11-33)30-31-22(34)23(26,27)28/h2-3,9-10,12-13,20H,4-8,11H2,1H3;3-4,9-10,13,16H,5-8,11-12H2,1-2H3;2-3,9-10,12-13,20H,4-8,11H2,1H3;3-4,9,12,14H,5-8,10-11H2,1-2H3/t12-,13?;13-,16+;12-,13?;12-,14+/m1111/s1
InChIKeyAAGDWOMNUZQHPG-UORPSDGQSA-N
MW2028.77 g/mol
LogP19.01
Rot. Bonds8

About [(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

[(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 157051419) has the molecular formula C92H91Cl2F19N24O4 and a molecular weight of 2028.77 g/mol. Its IUPAC name is [(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name[(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID157051419
Molecular FormulaC92H91Cl2F19N24O4
Molecular Weight2028.77 g/mol
Exact Mass2026.67
IUPAC Name[(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESC[C@@H]1CC(c2c(Cl)cnc3cc(C(F)F)ccc23)CCN1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.C[C@@H]1CC(c2c(F)cnc3cc(C(F)F)ccc23)CCN1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.Cc1cc(N2CC[C@H](C(=O)N3CCn4c(nnc4C(F)(F)F)C3)[C@H](C)C2)c2ccc(Cl)cc2n1.Cc1cc(N2CC[C@H](C(=O)N3CCn4c(nnc4C(F)(F)F)C3)[C@H](C)C2)c2ccc(F)c(F)c2n1
InChIInChI=1S/C23H22ClF5N6O.C23H24ClF3N6O.C23H22F6N6O.C23H23F5N6O/c1-12-8-13(19-15-3-2-14(20(25)26)9-17(15)30-10-16(19)24)4-5-34(12)22(36)33-6-7-35-18(11-33)31-32-21(35)23(27,28)29;1-13-11-31(19-9-14(2)28-18-10-15(24)3-4-17(18)19)6-5-16(13)21(34)32-7-8-33-20(12-32)29-30-22(33)23(25,26)27;1-12-8-13(19-15-3-2-14(20(25)26)9-17(15)30-10-16(19)24)4-5-34(12)22(36)33-6-7-35-18(11-33)31-32-21(35)23(27,28)29;1-12-10-32(17-9-13(2)29-20-15(17)3-4-16(24)19(20)25)6-5-14(12)21(35)33-7-8-34-18(11-33)30-31-22(34)23(26,27)28/h2-3,9-10,12-13,20H,4-8,11H2,1H3;3-4,9-10,13,16H,5-8,11-12H2,1-2H3;2-3,9-10,12-13,20H,4-8,11H2,1H3;3-4,9,12,14H,5-8,10-11H2,1-2H3/t12-,13?;13-,16+;12-,13?;12-,14+/m1111/s1
InChIKeyAAGDWOMNUZQHPG-UORPSDGQSA-N
XLogP19.01
TPSA268.60 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds8
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002028.77
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze [(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-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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Launch Full Analysis

Related Compounds

[(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)-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-[3-chloro-7-(trifluoromethyl)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 134276089
[(3S,4S)-1-(3-chloro-7-cyclopropylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276110
[(3S,4S)-1-[7-chloro-3-(difluoromethyl)-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 134276112
[(3S,4S)-1-[3-chloro-1-oxido-7-(trifluoromethyl)quinolin-1-ium-4-yl]-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 139301801
[(3S,4S)-1-[3-chloro-7-(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 139319501
[(3S,4S)-1-(7-chloroquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 134276008
[(3S,4S)-1-(7-chloro-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 134276122
6-chloro-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-3-carbonitrile;6-chloro-4-[3-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]piperidin-1-yl]quinoline-3-carbonitrile
CID 134264403
[(3S,4S)-1-(7-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 134276007
[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 134276046

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of [(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-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 157051419) is [(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-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 [(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for [(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is C[C@@H]1CC(c2c(Cl)cnc3cc(C(F)F)ccc23)CCN1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.C[C@@H]1CC(c2c(F)cnc3cc(C(F)F)ccc23)CCN1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.Cc1cc(N2CC[C@H](C(=O)N3CCn4c(nnc4C(F)(F)F)C3)[C@H](C)C2)c2ccc(Cl)cc2n1.Cc1cc(N2CC[C@H](C(=O)N3CCn4c(nnc4C(F)(F)F)C3)[C@H](C)C2)c2ccc(F)c(F)c2n1.
What is the InChIKey of [(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is AAGDWOMNUZQHPG-UORPSDGQSA-N. The full InChI is InChI=1S/C23H22ClF5N6O.C23H24ClF3N6O.C23H22F6N6O.C23H23F5N6O/c1-12-8-13(19-15-3-2-14(20(25)26)9-17(15)30-10-16(19)24)4-5-34(12)22(36)33-6-7-35-18(11-33)31-32-21(35)23(27,28)29;1-13-11-31(19-9-14(2)28-18-10-15(24)3-4-17(18)19)6-5-16(13)21(34)32-7-8-33-20(12-32)29-30-22(33)23(25,26)27;1-12-8-13(19-15-3-2-14(20(25)26)9-17(15)30-10-16(19)24)4-5-34(12)22(36)33-6-7-35-18(11-33)31-32-21(35)23(27,28)29;1-12-10-32(17-9-13(2)29-20-15(17)3-4-16(24)19(20)25)6-5-14(12)21(35)33-7-8-34-18(11-33)30-31-22(34)23(26,27)28/h2-3,9-10,12-13,20H,4-8,11H2,1H3;3-4,9-10,13,16H,5-8,11-12H2,1-2H3;2-3,9-10,12-13,20H,4-8,11H2,1H3;3-4,9,12,14H,5-8,10-11H2,1-2H3/t12-,13?;13-,16+;12-,13?;12-,14+/m1111/s1.
What are the key properties of [(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
[(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 2028.77 g/mol, XLogP of 19.01, 8 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[3-chloro-7-(difluoromethyl)quinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7-chloro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(2R)-4-[7-(difluoromethyl)-3-fluoroquinolin-4-yl]-2-methylpiperidin-1-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone;[(3S,4S)-1-(7,8-difluoro-2-methylquinolin-4-yl)-3-methylpiperidin-4-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 157051419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).