3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine

C113H113F8N35O4S5 — CID 158689330

About 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine

3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine (PubChem CID 158689330) has the molecular formula C113H113F8N35O4S5 and a molecular weight of 2337.71 g/mol. Its IUPAC name is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine
• PubChem CID: 158689330
• Molecular Formula: C113H113F8N35O4S5
• Molecular Weight: 2337.71 g/mol
• Exact Mass: 2335.82
• IUPAC Name: 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine
• SMILES: CCCOc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)c(F)c1C.COc1ccc(-n2nnnc2-c2cc(-c3cc(C)c(C4CCNCC4)s3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCCNC4)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CNCCC4)cnc2N)c(F)c1F.Cc1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(C)c(C)c3F)c2)sc1C1CCNCC1
• InChI: InChI=1S/C24H26FN7OS.C24H26FN7S.C23H23F2N7OS.2C21H19F2N7OS/c1-3-10-33-19-5-4-18(22(25)14(19)2)32-24(29-30-31-32)17-11-16(13-28-23(17)26)21-12-15-6-8-27-9-7-20(15)34-21;1-13-4-5-19(21(25)15(13)3)32-24(29-30-31-32)18-11-17(12-28-23(18)26)20-10-14(2)22(33-20)16-6-8-27-9-7-16;1-12-9-18(34-21(12)13-5-7-27-8-6-13)14-10-15(22(26)28-11-14)23-29-30-31-32(23)16-3-4-17(33-2)20(25)19(16)24;1-31-15-5-4-14(18(22)19(15)23)30-21(27-28-29-30)13-7-11(10-26-20(13)24)17-8-12-9-25-6-2-3-16(12)32-17;1-31-15-5-4-14(18(22)19(15)23)30-21(27-28-29-30)13-7-12(9-26-20(13)24)16-8-11-3-2-6-25-10-17(11)32-16/h4-5,11-13,27H,3,6-10H2,1-2H3,(H2,26,28);4-5,10-12,16,27H,6-9H2,1-3H3,(H2,26,28);3-4,9-11,13,27H,5-8H2,1-2H3,(H2,26,28);4-5,7-8,10,25H,2-3,6,9H2,1H3,(H2,24,26);4-5,7-9,25H,2-3,6,10H2,1H3,(H2,24,26)
• InChIKey: IGDIZXMQBFNMKL-UHFFFAOYSA-N
• XLogP: 19.34
• TPSA: 509.62 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 44
• Rotatable Bonds: 23
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2337.71
LogP ≤ 5	19.34
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine (CID 158689330) is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine is CCCOc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)c(F)c1C.COc1ccc(-n2nnnc2-c2cc(-c3cc(C)c(C4CCNCC4)s3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCCNC4)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CNCCC4)cnc2N)c(F)c1F.Cc1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(C)c(C)c3F)c2)sc1C1CCNCC1.

What is the InChIKey of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

The InChIKey is IGDIZXMQBFNMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7OS.C24H26FN7S.C23H23F2N7OS.2C21H19F2N7OS/c1-3-10-33-19-5-4-18(22(25)14(19)2)32-24(29-30-31-32)17-11-16(13-28-23(17)26)21-12-15-6-8-27-9-7-20(15)34-21;1-13-4-5-19(21(25)15(13)3)32-24(29-30-31-32)18-11-17(12-28-23(18)26)20-10-14(2)22(33-20)16-6-8-27-9-7-16;1-12-9-18(34-21(12)13-5-7-27-8-6-13)14-10-15(22(26)28-11-14)23-29-30-31-32(23)16-3-4-17(33-2)20(25)19(16)24;1-31-15-5-4-14(18(22)19(15)23)30-21(27-28-29-30)13-7-11(10-26-20(13)24)17-8-12-9-25-6-2-3-16(12)32-17;1-31-15-5-4-14(18(22)19(15)23)30-21(27-28-29-30)13-7-12(9-26-20(13)24)16-8-11-3-2-6-25-10-17(11)32-16/h4-5,11-13,27H,3,6-10H2,1-2H3,(H2,26,28);4-5,10-12,16,27H,6-9H2,1-3H3,(H2,26,28);3-4,9-11,13,27H,5-8H2,1-2H3,(H2,26,28);4-5,7-8,10,25H,2-3,6,9H2,1H3,(H2,24,26);4-5,7-9,25H,2-3,6,10H2,1H3,(H2,24,26).

What are the key properties of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine?

3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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 2337.71 g/mol, XLogP of 19.34, 23 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-c]azepin-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[3,2-c]azepin-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]-5-(4-methyl-5-piperidin-4-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2-fluoro-3-methyl-4-propoxyphenyl)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 158689330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).