3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine

C44H37F4N15O2S2 — CID 123310118

About 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine

3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine (PubChem CID 123310118) has the molecular formula C44H37F4N15O2S2 and a molecular weight of 948.01 g/mol. Its IUPAC name is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine
• PubChem CID: 123310118
• Molecular Formula: C44H37F4N15O2S2
• Molecular Weight: 948.01 g/mol
• Exact Mass: 947.26
• IUPAC Name: 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine
• SMILES: COc1ccc(-n2nnnc2-c2cc(-c3cc(C)c(-c4cccnc4)s3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cnc(C4CCNCC4)s3)cnc2N)c(F)c1F
• InChI: InChI=1S/C23H17F2N7OS.C21H20F2N8OS/c1-12-8-18(34-21(12)13-4-3-7-27-10-13)14-9-15(22(26)28-11-14)23-29-30-31-32(23)16-5-6-17(33-2)20(25)19(16)24;1-32-15-3-2-14(17(22)18(15)23)31-20(28-29-30-31)13-8-12(9-26-19(13)24)16-10-27-21(33-16)11-4-6-25-7-5-11/h3-11H,1-2H3,(H2,26,28);2-3,8-11,25H,4-7H2,1H3,(H2,24,26)
• InChIKey: FECDPJJFIARAIX-UHFFFAOYSA-N
• XLogP: 7.88
• TPSA: 221.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	948.01
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine?

The IUPAC name of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine (CID 123310118) is 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine.

What is the SMILES notation for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine?

The canonical SMILES for 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine is COc1ccc(-n2nnnc2-c2cc(-c3cc(C)c(-c4cccnc4)s3)cnc2N)c(F)c1F.COc1ccc(-n2nnnc2-c2cc(-c3cnc(C4CCNCC4)s3)cnc2N)c(F)c1F.

What is the InChIKey of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine?

The InChIKey is FECDPJJFIARAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N7OS.C21H20F2N8OS/c1-12-8-18(34-21(12)13-4-3-7-27-10-13)14-9-15(22(26)28-11-14)23-29-30-31-32(23)16-5-6-17(33-2)20(25)19(16)24;1-32-15-3-2-14(17(22)18(15)23)31-20(28-29-30-31)13-8-12(9-26-19(13)24)16-10-27-21(33-16)11-4-6-25-7-5-11/h3-11H,1-2H3,(H2,26,28);2-3,8-11,25H,4-7H2,1H3,(H2,24,26).

What are the key properties of 3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine?

3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(4-methyl-5-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine has a molecular weight of 948.01 g/mol, XLogP of 7.88, 10 rotatable bonds, 3 hydrogen bond donors, and 19 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-pyridin-3-ylthiophen-2-yl)pyridin-2-amine;3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(2-piperidin-4-yl-1,3-thiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 123310118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).