benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C100H88N28O4S4 — CID 158995193

About benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 158995193) has the molecular formula C100H88N28O4S4 and a molecular weight of 1874.26 g/mol. Its IUPAC name is benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

• Compound Name: benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
• PubChem CID: 158995193
• Molecular Formula: C100H88N28O4S4
• Molecular Weight: 1874.26 g/mol
• Exact Mass: 1872.64
• IUPAC Name: benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
• SMILES: Cc1nn2ccccc2c1-c1nc(-c2ccc(N3CCCCC3)nc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccccc2OCc2ccccc2)c(C2=NCC=N2)s1.Cc1nn2ccccc2c1-c1nc(-c2cnn(CCN3CCOCC3)c2)c(C2=NCC=N2)s1
• InChI: InChI=1S/C27H21N7O2S.C27H21N5OS.C23H24N8OS.C23H22N8S/c1-17-22(21-9-5-6-14-34(21)33-17)26-31-23(24(37-26)25-28-16-29-32-25)19-10-12-20(13-11-19)30-27(35)36-15-18-7-3-2-4-8-18;1-18-23(21-12-7-8-16-32(21)31-18)27-30-24(25(34-27)26-28-14-15-29-26)20-11-5-6-13-22(20)33-17-19-9-3-2-4-10-19;1-16-19(18-4-2-3-7-31(18)28-16)23-27-20(21(33-23)22-24-5-6-25-22)17-14-26-30(15-17)9-8-29-10-12-32-13-11-29;1-15-19(17-7-3-6-12-31(17)29-15)23-27-20(21(32-23)22-25-14-26-28-22)16-8-9-18(24-13-16)30-10-4-2-5-11-30/h2-14,16H,15H2,1H3,(H,30,35)(H,28,29,32);2-14,16H,15,17H2,1H3;2-5,7,14-15H,6,8-13H2,1H3;3,6-9,12-14H,2,4-5,10-11H2,1H3,(H,25,26,28)
• InChIKey: JQQRJQJHGPLTEQ-UHFFFAOYSA-N
• XLogP: 19.21
• TPSA: 347.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1874.26
LogP ≤ 5	19.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?

The IUPAC name of benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 158995193) is benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

What is the SMILES notation for benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?

The canonical SMILES for benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cc1nn2ccccc2c1-c1nc(-c2ccc(N3CCCCC3)nc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(NC(=O)OCc3ccccc3)cc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccccc2OCc2ccccc2)c(C2=NCC=N2)s1.Cc1nn2ccccc2c1-c1nc(-c2cnn(CCN3CCOCC3)c2)c(C2=NCC=N2)s1.

What is the InChIKey of benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?

The InChIKey is JQQRJQJHGPLTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7O2S.C27H21N5OS.C23H24N8OS.C23H22N8S/c1-17-22(21-9-5-6-14-34(21)33-17)26-31-23(24(37-26)25-28-16-29-32-25)19-10-12-20(13-11-19)30-27(35)36-15-18-7-3-2-4-8-18;1-18-23(21-12-7-8-16-32(21)31-18)27-30-24(25(34-27)26-28-14-15-29-26)20-11-5-6-13-22(20)33-17-19-9-3-2-4-10-19;1-16-19(18-4-2-3-7-31(18)28-16)23-27-20(21(33-23)22-24-5-6-25-22)17-14-26-30(15-17)9-8-29-10-12-32-13-11-29;1-15-19(17-7-3-6-12-31(17)29-15)23-27-20(21(32-23)22-25-14-26-28-22)16-8-9-18(24-13-16)30-10-4-2-5-11-30/h2-14,16H,15H2,1H3,(H,30,35)(H,28,29,32);2-14,16H,15,17H2,1H3;2-5,7,14-15H,6,8-13H2,1H3;3,6-9,12-14H,2,4-5,10-11H2,1H3,(H,25,26,28).

What are the key properties of benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?

benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 1874.26 g/mol, XLogP of 19.21, 22 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[4-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]phenyl]carbamate;5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(2-phenylmethoxyphenyl)-1,3-thiazole;4-[2-[4-[5-(4H-imidazol-2-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-1,3-thiazol-4-yl]pyrazol-1-yl]ethyl]morpholine;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(6-piperidin-1-yl-3-pyridinyl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 158995193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).