3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine

C88H92F8N32O5S2 — CID 157184440

About 3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine

3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine (PubChem CID 157184440) has the molecular formula C88H92F8N32O5S2 and a molecular weight of 1894.04 g/mol. Its IUPAC name is 3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
• PubChem CID: 157184440
• Molecular Formula: C88H92F8N32O5S2
• Molecular Weight: 1894.04 g/mol
• Exact Mass: 1892.72
• IUPAC Name: 3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
• SMILES: CCCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OC[C@@H]4CCCN4)c(F)c3F)c2)cn1.CN(C)CCOc1cc(F)c(-n2nnnc2-c2cc(-c3cccs3)cnc2N)c(F)c1.CN(C)CCOc1cc(F)c(-n2nnnc2-c2cc(-c3cnn(C4CCOCC4)c3)cnc2N)c(F)c1.Cc1csc(-c2cnc(N)c(-c3nnnn3-c3c(F)cc(OCCN(C)C)cc3F)c2)c1
• InChI: InChI=1S/C24H27F2N9O2.C23H25F2N9O.C21H21F2N7OS.C20H19F2N7OS/c1-33(2)5-8-37-18-10-20(25)22(21(26)11-18)35-24(30-31-32-35)19-9-15(12-28-23(19)27)16-13-29-34(14-16)17-3-6-36-7-4-17;1-2-8-33-12-15(11-29-33)14-9-17(22(26)28-10-14)23-30-31-32-34(23)18-5-6-19(21(25)20(18)24)35-13-16-4-3-7-27-16;1-12-6-18(32-11-12)13-7-15(20(24)25-10-13)21-26-27-28-30(21)19-16(22)8-14(9-17(19)23)31-5-4-29(2)3;1-28(2)5-6-30-13-9-15(21)18(16(22)10-13)29-20(25-26-27-29)14-8-12(11-24-19(14)23)17-4-3-7-31-17/h9-14,17H,3-8H2,1-2H3,(H2,27,28);5-6,9-12,16,27H,2-4,7-8,13H2,1H3,(H2,26,28);6-11H,4-5H2,1-3H3,(H2,24,25);3-4,7-11H,5-6H2,1-2H3,(H2,23,24)/t;16-;;/m.0../s1
• InChIKey: AOYKXPCIBCDOQN-JVNATMDVSA-N
• XLogP: 12.54
• TPSA: 433.58 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 39
• Rotatable Bonds: 30
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1894.04
LogP ≤ 5	12.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?

The IUPAC name of 3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine (CID 157184440) is 3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine.

What is the SMILES notation for 3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?

The canonical SMILES for 3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine is CCCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OC[C@@H]4CCCN4)c(F)c3F)c2)cn1.CN(C)CCOc1cc(F)c(-n2nnnc2-c2cc(-c3cccs3)cnc2N)c(F)c1.CN(C)CCOc1cc(F)c(-n2nnnc2-c2cc(-c3cnn(C4CCOCC4)c3)cnc2N)c(F)c1.Cc1csc(-c2cnc(N)c(-c3nnnn3-c3c(F)cc(OCCN(C)C)cc3F)c2)c1.

What is the InChIKey of 3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?

The InChIKey is AOYKXPCIBCDOQN-JVNATMDVSA-N. The full InChI is InChI=1S/C24H27F2N9O2.C23H25F2N9O.C21H21F2N7OS.C20H19F2N7OS/c1-33(2)5-8-37-18-10-20(25)22(21(26)11-18)35-24(30-31-32-35)19-9-15(12-28-23(19)27)16-13-29-34(14-16)17-3-6-36-7-4-17;1-2-8-33-12-15(11-29-33)14-9-17(22(26)28-10-14)23-30-31-32-34(23)18-5-6-19(21(25)20(18)24)35-13-16-4-3-7-27-16;1-12-6-18(32-11-12)13-7-15(20(24)25-10-13)21-26-27-28-30(21)19-16(22)8-14(9-17(19)23)31-5-4-29(2)3;1-28(2)5-6-30-13-9-15(21)18(16(22)10-13)29-20(25-26-27-29)14-8-12(11-24-19(14)23)17-4-3-7-31-17/h9-14,17H,3-8H2,1-2H3,(H2,27,28);5-6,9-12,16,27H,2-4,7-8,13H2,1H3,(H2,26,28);6-11H,4-5H2,1-3H3,(H2,24,25);3-4,7-11H,5-6H2,1-2H3,(H2,23,24)/t;16-;;/m.0../s1.

What are the key properties of 3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?

3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine has a molecular weight of 1894.04 g/mol, XLogP of 12.54, 30 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2,3-difluoro-4-[[(2S)-pyrrolidin-2-yl]methoxy]phenyl]tetrazol-5-yl]-5-(1-propylpyrazol-4-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-(4-methylthiophen-2-yl)pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[4-[2-(dimethylamino)ethoxy]-2,6-difluorophenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine is sourced from PubChem (CID 157184440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).