4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine

C107H97ClN36O2S5 — CID 158366319

About 4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine

4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine (PubChem CID 158366319) has the molecular formula C107H97ClN36O2S5 and a molecular weight of 2114.99 g/mol. Its IUPAC name is 4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine.

Molecular Properties

• Compound Name: 4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
• PubChem CID: 158366319
• Molecular Formula: C107H97ClN36O2S5
• Molecular Weight: 2114.99 g/mol
• Exact Mass: 2112.69
• IUPAC Name: 4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine
• SMILES: Cc1nc2ccc(CCCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.Cc1nc2ccc(CCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2cc(C=O)ccc2Cl)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(N3CCOCC3)nc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2cnn(C)c2C)c(-c2ncn[nH]2)s1
• InChI: InChI=1S/C24H25N7S.C23H23N7S.C22H20N8OS.C20H13ClN6OS.C18H16N8S/c1-16-21(31-14-17(8-4-3-7-13-25)11-12-19(31)28-16)24-29-20(18-9-5-2-6-10-18)22(32-24)23-26-15-27-30-23;1-15-20(30-13-16(7-5-6-12-24)10-11-18(30)27-15)23-28-19(17-8-3-2-4-9-17)21(31-23)22-25-14-26-29-22;1-14-18(16-4-2-3-7-30(16)28-14)22-26-19(20(32-22)21-24-13-25-27-21)15-5-6-17(23-12-15)29-8-10-31-11-9-29;1-11-16(15-4-2-3-7-27(15)26-11)20-24-17(18(29-20)19-22-10-23-25-19)13-8-12(9-28)5-6-14(13)21;1-10-14(13-6-4-5-7-26(13)24-10)18-22-15(12-8-21-25(3)11(12)2)16(27-18)17-19-9-20-23-17/h2,5-6,9-12,14-15H,3-4,7-8,13,25H2,1H3,(H,26,27,30);2-4,8-11,13-14H,5-7,12,24H2,1H3,(H,25,26,29);2-7,12-13H,8-11H2,1H3,(H,24,25,27);2-10H,1H3,(H,22,23,25);4-9H,1-3H3,(H,19,20,23)
• InChIKey: GUBOAFFQXUZHTQ-UHFFFAOYSA-N
• XLogP: 20.78
• TPSA: 471.09 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 26
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2114.99
LogP ≤ 5	20.78
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine?

The IUPAC name of 4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine (CID 158366319) is 4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine.

What is the SMILES notation for 4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine?

The canonical SMILES for 4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine is Cc1nc2ccc(CCCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.Cc1nc2ccc(CCCCN)cn2c1-c1nc(-c2ccccc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2cc(C=O)ccc2Cl)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2ccc(N3CCOCC3)nc2)c(-c2ncn[nH]2)s1.Cc1nn2ccccc2c1-c1nc(-c2cnn(C)c2C)c(-c2ncn[nH]2)s1.

What is the InChIKey of 4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine?

The InChIKey is GUBOAFFQXUZHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7S.C23H23N7S.C22H20N8OS.C20H13ClN6OS.C18H16N8S/c1-16-21(31-14-17(8-4-3-7-13-25)11-12-19(31)28-16)24-29-20(18-9-5-2-6-10-18)22(32-24)23-26-15-27-30-23;1-15-20(30-13-16(7-5-6-12-24)10-11-18(30)27-15)23-28-19(17-8-3-2-4-9-17)21(31-23)22-25-14-26-29-22;1-14-18(16-4-2-3-7-30(16)28-14)22-26-19(20(32-22)21-24-13-25-27-21)15-5-6-17(23-12-15)29-8-10-31-11-9-29;1-11-16(15-4-2-3-7-27(15)26-11)20-24-17(18(29-20)19-22-10-23-25-19)13-8-12(9-28)5-6-14(13)21;1-10-14(13-6-4-5-7-26(13)24-10)18-22-15(12-8-21-25(3)11(12)2)16(27-18)17-19-9-20-23-17/h2,5-6,9-12,14-15H,3-4,7-8,13,25H2,1H3,(H,26,27,30);2-4,8-11,13-14H,5-7,12,24H2,1H3,(H,25,26,29);2-7,12-13H,8-11H2,1H3,(H,24,25,27);2-10H,1H3,(H,22,23,25);4-9H,1-3H3,(H,19,20,23).

What are the key properties of 4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine?

4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine has a molecular weight of 2114.99 g/mol, XLogP of 20.78, 26 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-3-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzaldehyde;4-(1,5-dimethylpyrazol-4-yl)-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole;4-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]butan-1-amine;5-[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]pentan-1-amine;4-[5-[2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 158366319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).