8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C88H96ClF9N20O — CID 163851256

About 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 163851256) has the molecular formula C88H96ClF9N20O and a molecular weight of 1656.31 g/mol. Its IUPAC name is 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 163851256
• Molecular Formula: C88H96ClF9N20O
• Molecular Weight: 1656.31 g/mol
• Exact Mass: 1654.76
• IUPAC Name: 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: Cc1c(N2CCC3(CC2)OC(C)(C)c2cc(F)ccc23)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(N2CCN(c3ncccn3)CC2)ccn2c(CC3CC3)nnc12.Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3Cl)CC2)c(F)c1
• InChI: InChI=1S/C25H29FN4O.C23H25F3N4.C21H22ClF2N5.C19H20F3N7/c1-16-21(8-11-30-22(14-17-4-5-17)27-28-23(16)30)29-12-9-25(10-13-29)19-7-6-18(26)15-20(19)24(2,3)31-25;24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17;22-20-15(5-6-29-19(11-14-1-2-14)25-26-21(20)29)13-27-7-9-28(10-8-27)18-4-3-16(23)12-17(18)24;20-19(21,22)16-14(4-7-29-15(12-13-2-3-13)25-26-17(16)29)27-8-10-28(11-9-27)18-23-5-1-6-24-18/h6-8,11,15,17H,4-5,9-10,12-14H2,1-3H3;1-5,10,13,16,18H,6-9,11-12,14-15H2;3-6,12,14H,1-2,7-11,13H2;1,4-7,13H,2-3,8-12H2
• InChIKey: OUODNAZGEFKEPF-UHFFFAOYSA-N
• XLogP: 16.72
• TPSA: 175.21 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1656.31
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The IUPAC name of 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 163851256) is 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

What is the SMILES notation for 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The canonical SMILES for 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1c(N2CCC3(CC2)OC(C)(C)c2cc(F)ccc23)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(CN2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12.FC(F)(F)c1c(N2CCN(c3ncccn3)CC2)ccn2c(CC3CC3)nnc12.Fc1ccc(N2CCN(Cc3ccn4c(CC5CC5)nnc4c3Cl)CC2)c(F)c1.

What is the InChIKey of 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

The InChIKey is OUODNAZGEFKEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O.C23H25F3N4.C21H22ClF2N5.C19H20F3N7/c1-16-21(8-11-30-22(14-17-4-5-17)27-28-23(16)30)29-12-9-25(10-13-29)19-7-6-18(26)15-20(19)24(2,3)31-25;24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17;22-20-15(5-6-29-19(11-14-1-2-14)25-26-21(20)29)13-27-7-9-28(10-8-27)18-4-3-16(23)12-17(18)24;20-19(21,22)16-14(4-7-29-15(12-13-2-3-13)25-26-17(16)29)27-8-10-28(11-9-27)18-23-5-1-6-24-18/h6-8,11,15,17H,4-5,9-10,12-14H2,1-3H3;1-5,10,13,16,18H,6-9,11-12,14-15H2;3-6,12,14H,1-2,7-11,13H2;1,4-7,13H,2-3,8-12H2.

What are the key properties of 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?

8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 1656.31 g/mol, XLogP of 16.72, 17 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-3-(cyclopropylmethyl)-7-[[4-(2,4-difluorophenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine;1'-[3-(cyclopropylmethyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl]-5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine];3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine;3-(cyclopropylmethyl)-7-(4-pyrimidin-2-ylpiperazin-1-yl)-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 163851256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).