3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine

C88H93Cl3N32O2S2 — CID 158337337

About 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine

3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine (PubChem CID 158337337) has the molecular formula C88H93Cl3N32O2S2 and a molecular weight of 1801.43 g/mol. Its IUPAC name is 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine
• PubChem CID: 158337337
• Molecular Formula: C88H93Cl3N32O2S2
• Molecular Weight: 1801.43 g/mol
• Exact Mass: 1798.67
• IUPAC Name: 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine
• SMILES: COc1c(C)cc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)cc1Cl.COc1c(C)cc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)cc1Cl.Cc1cc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)cc(Cl)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)cc1C
• InChI: InChI=1S/C22H24ClN9O.C22H24ClN9.C22H22ClN7OS.C22H23N7S/c1-13-7-17(9-19(23)20(13)33-2)32-22(28-29-30-32)18-8-14(10-26-21(18)24)15-11-27-31(12-15)16-3-5-25-6-4-16;1-13-7-18(9-20(23)14(13)2)32-22(28-29-30-32)19-8-15(10-26-21(19)24)16-11-27-31(12-16)17-3-5-25-6-4-17;1-12-7-15(10-17(23)20(12)31-2)30-22(27-28-29-30)16-8-14(11-26-21(16)24)19-9-13-3-5-25-6-4-18(13)32-19;1-13-3-4-17(9-14(13)2)29-22(26-27-28-29)18-10-16(12-25-21(18)23)20-11-15-5-7-24-8-6-19(15)30-20/h7-12,16,25H,3-6H2,1-2H3,(H2,24,26);7-12,17,25H,3-6H2,1-2H3,(H2,24,26);7-11,25H,3-6H2,1-2H3,(H2,24,26);3-4,9-12,24H,5-8H2,1-2H3,(H2,23,25)
• InChIKey: GQSYVEOWGZSSMB-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 432.26 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 16
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1801.43
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

The IUPAC name of 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine (CID 158337337) is 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine.

What is the SMILES notation for 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

The canonical SMILES for 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine is COc1c(C)cc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)cc1Cl.COc1c(C)cc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)cc1Cl.Cc1cc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)cc(Cl)c1C.Cc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)cc1C.

What is the InChIKey of 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

The InChIKey is GQSYVEOWGZSSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN9O.C22H24ClN9.C22H22ClN7OS.C22H23N7S/c1-13-7-17(9-19(23)20(13)33-2)32-22(28-29-30-32)18-8-14(10-26-21(18)24)15-11-27-31(12-15)16-3-5-25-6-4-16;1-13-7-18(9-20(23)14(13)2)32-22(28-29-30-32)19-8-15(10-26-21(19)24)16-11-27-31(12-16)17-3-5-25-6-4-17;1-12-7-15(10-17(23)20(12)31-2)30-22(27-28-29-30)16-8-14(11-26-21(16)24)19-9-13-3-5-25-6-4-18(13)32-19;1-13-3-4-17(9-14(13)2)29-22(26-27-28-29)18-10-16(12-25-21(18)23)20-11-15-5-7-24-8-6-19(15)30-20/h7-12,16,25H,3-6H2,1-2H3,(H2,24,26);7-12,17,25H,3-6H2,1-2H3,(H2,24,26);7-11,25H,3-6H2,1-2H3,(H2,24,26);3-4,9-12,24H,5-8H2,1-2H3,(H2,23,25).

What are the key properties of 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine has a molecular weight of 1801.43 g/mol, XLogP of 13.46, 16 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(3-chloro-4,5-dimethylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-chloro-4-methoxy-5-methylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;3-[1-(3,4-dimethylphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine is sourced from PubChem (CID 158337337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).