1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile

C117H113ClF3N31O7S4 — CID 159726582

IUPAC1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile
SMILESCC(=O)c1sc(C)nc1-c1cnn(C)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.Cc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccc(F)cc4)nc3C2)c(C)s1.Cc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)c(C(C)O)s1.Cn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.Cn1ncc(-c2ncccc2C#N)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1
InChIInChI=1S/C24H21N7O.C24H26N6O2S.C24H24N6O2S.C23H23FN6OS.C22H19ClF2N6OS/c1-30-23(19(15-27-30)22-18(14-25)8-5-10-26-22)20(32)12-16-9-11-31-21(13-16)28-24(29-31)17-6-3-2-4-7-17;2*1-14(31)23-21(26-15(2)33-23)18-13-25-29(3)22(18)19(32)11-16-9-10-30-20(12-16)27-24(28-30)17-7-5-4-6-8-17;1-13-21(26-14(2)32-13)18-12-25-29(3)22(18)19(31)10-15-8-9-30-20(11-15)27-23(28-30)16-4-6-17(24)7-5-16;1-30-18(14(11-26-30)22-28-17(20(24)25)19(23)33-22)15(32)9-12-7-8-31-16(10-12)27-21(29-31)13-5-3-2-4-6-13/h2-8,10,15-16H,9,11-13H2,1H3;4-8,13-14,16,31H,9-12H2,1-3H3;4-8,13,16H,9-12H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;2-6,11-12,20H,7-10H2,1H3
InChIKeyNASCVMBZJXFAAP-UHFFFAOYSA-N
MW2286.12 g/mol
LogP21.22
Rot. Bonds28

About 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile

1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile (PubChem CID 159726582) has the molecular formula C117H113ClF3N31O7S4 and a molecular weight of 2286.12 g/mol. Its IUPAC name is 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile
PubChem CID159726582
Molecular FormulaC117H113ClF3N31O7S4
Molecular Weight2286.12 g/mol
Exact Mass2283.80
IUPAC Name1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile
SMILESCC(=O)c1sc(C)nc1-c1cnn(C)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.Cc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccc(F)cc4)nc3C2)c(C)s1.Cc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)c(C(C)O)s1.Cn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.Cn1ncc(-c2ncccc2C#N)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1
InChIInChI=1S/C24H21N7O.C24H26N6O2S.C24H24N6O2S.C23H23FN6OS.C22H19ClF2N6OS/c1-30-23(19(15-27-30)22-18(14-25)8-5-10-26-22)20(32)12-16-9-11-31-21(13-16)28-24(29-31)17-6-3-2-4-7-17;2*1-14(31)23-21(26-15(2)33-23)18-13-25-29(3)22(18)19(32)11-16-9-10-30-20(12-16)27-24(28-30)17-7-5-4-6-8-17;1-13-21(26-14(2)32-13)18-12-25-29(3)22(18)19(31)10-15-8-9-30-20(11-15)27-23(28-30)16-4-6-17(24)7-5-16;1-30-18(14(11-26-30)22-28-17(20(24)25)19(23)33-22)15(32)9-12-7-8-31-16(10-12)27-21(29-31)13-5-3-2-4-6-13/h2-8,10,15-16H,9,11-13H2,1H3;4-8,13-14,16,31H,9-12H2,1-3H3;4-8,13,16H,9-12H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;2-6,11-12,20H,7-10H2,1H3
InChIKeyNASCVMBZJXFAAP-UHFFFAOYSA-N
XLogP21.22
TPSA453.54 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds28
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002286.12
LogP ≤ 521.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Analyze 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile (CID 159726582) is 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile is CC(=O)c1sc(C)nc1-c1cnn(C)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.Cc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccc(F)cc4)nc3C2)c(C)s1.Cc1nc(-c2cnn(C)c2C(=O)CC2CCn3nc(-c4ccccc4)nc3C2)c(C(C)O)s1.Cn1ncc(-c2nc(C(F)F)c(Cl)s2)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.Cn1ncc(-c2ncccc2C#N)c1C(=O)CC1CCn2nc(-c3ccccc3)nc2C1.
What is the InChIKey of 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile?
The InChIKey is NASCVMBZJXFAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O.C24H26N6O2S.C24H24N6O2S.C23H23FN6OS.C22H19ClF2N6OS/c1-30-23(19(15-27-30)22-18(14-25)8-5-10-26-22)20(32)12-16-9-11-31-21(13-16)28-24(29-31)17-6-3-2-4-7-17;2*1-14(31)23-21(26-15(2)33-23)18-13-25-29(3)22(18)19(32)11-16-9-10-30-20(12-16)27-24(28-30)17-7-5-4-6-8-17;1-13-21(26-14(2)32-13)18-12-25-29(3)22(18)19(31)10-15-8-9-30-20(11-15)27-23(28-30)16-4-6-17(24)7-5-16;1-30-18(14(11-26-30)22-28-17(20(24)25)19(23)33-22)15(32)9-12-7-8-31-16(10-12)27-21(29-31)13-5-3-2-4-6-13/h2-8,10,15-16H,9,11-13H2,1H3;4-8,13-14,16,31H,9-12H2,1-3H3;4-8,13,16H,9-12H2,1-3H3;4-7,12,15H,8-11H2,1-3H3;2-6,11-12,20H,7-10H2,1H3.
What are the key properties of 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile?
1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile has a molecular weight of 2286.12 g/mol, XLogP of 21.22, 28 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-acetyl-2-methyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-[5-chloro-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[4-(2,5-dimethyl-1,3-thiazol-4-yl)-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[4-[5-(1-hydroxyethyl)-2-methyl-1,3-thiazol-4-yl]-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-[1-methyl-5-[2-(2-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)acetyl]pyrazol-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 159726582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).