3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine

C100H106F8N32O5S — CID 158547607

About 3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine

3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine (PubChem CID 158547607) has the molecular formula C100H106F8N32O5S and a molecular weight of 2020.22 g/mol. Its IUPAC name is 3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine.

Molecular Properties

• Compound Name: 3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
• PubChem CID: 158547607
• Molecular Formula: C100H106F8N32O5S
• Molecular Weight: 2020.22 g/mol
• Exact Mass: 2018.86
• IUPAC Name: 3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine
• SMILES: CC(C)CCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCC4CCNCC4)c(F)c3F)c2)cn1.CN1C2CCC1CC(Oc1ccc(-n3nnnc3-c3cc(-c4ccccc4)cnc3N)c(F)c1F)C2.Nc1ncc(-c2cccs2)cc1-c1nnnn1-c1ccc(OCC2CCNCC2)c(F)c1F.Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1-c1nnnn1-c1ccc(OCC2CCNCC2)c(F)c1F
• InChI: InChI=1S/C26H29F2N9O2.C26H31F2N9O.C26H25F2N7O.C22H21F2N7OS/c27-23-21(1-2-22(24(23)28)39-15-16-3-7-30-8-4-16)37-26(33-34-35-37)20-11-17(12-31-25(20)29)18-13-32-36(14-18)19-5-9-38-10-6-19;1-16(2)7-10-36-14-19(13-32-36)18-11-20(25(29)31-12-18)26-33-34-35-37(26)21-3-4-22(24(28)23(21)27)38-15-17-5-8-30-9-6-17;1-34-17-7-8-18(34)13-19(12-17)36-22-10-9-21(23(27)24(22)28)35-26(31-32-33-35)20-11-16(14-30-25(20)29)15-5-3-2-4-6-15;23-19-16(3-4-17(20(19)24)32-12-13-5-7-26-8-6-13)31-22(28-29-30-31)15-10-14(11-27-21(15)25)18-2-1-9-33-18/h1-2,11-14,16,19,30H,3-10,15H2,(H2,29,31);3-4,11-14,16-17,30H,5-10,15H2,1-2H3,(H2,29,31);2-6,9-11,14,17-19H,7-8,12-13H2,1H3,(H2,29,30);1-4,9-11,13,26H,5-8,12H2,(H2,25,27)
• InChIKey: HPHUVLOUSYFRRD-UHFFFAOYSA-N
• XLogP: 15.00
• TPSA: 451.16 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 27
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2020.22
LogP ≤ 5	15.00
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?

The IUPAC name of 3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine (CID 158547607) is 3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine.

What is the SMILES notation for 3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?

The canonical SMILES for 3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine is CC(C)CCn1cc(-c2cnc(N)c(-c3nnnn3-c3ccc(OCC4CCNCC4)c(F)c3F)c2)cn1.CN1C2CCC1CC(Oc1ccc(-n3nnnc3-c3cc(-c4ccccc4)cnc3N)c(F)c1F)C2.Nc1ncc(-c2cccs2)cc1-c1nnnn1-c1ccc(OCC2CCNCC2)c(F)c1F.Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1-c1nnnn1-c1ccc(OCC2CCNCC2)c(F)c1F.

What is the InChIKey of 3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?

The InChIKey is HPHUVLOUSYFRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N9O2.C26H31F2N9O.C26H25F2N7O.C22H21F2N7OS/c27-23-21(1-2-22(24(23)28)39-15-16-3-7-30-8-4-16)37-26(33-34-35-37)20-11-17(12-31-25(20)29)18-13-32-36(14-18)19-5-9-38-10-6-19;1-16(2)7-10-36-14-19(13-32-36)18-11-20(25(29)31-12-18)26-33-34-35-37(26)21-3-4-22(24(28)23(21)27)38-15-17-5-8-30-9-6-17;1-34-17-7-8-18(34)13-19(12-17)36-22-10-9-21(23(27)24(22)28)35-26(31-32-33-35)20-11-16(14-30-25(20)29)15-5-3-2-4-6-15;23-19-16(3-4-17(20(19)24)32-12-13-5-7-26-8-6-13)31-22(28-29-30-31)15-10-14(11-27-21(15)25)18-2-1-9-33-18/h1-2,11-14,16,19,30H,3-10,15H2,(H2,29,31);3-4,11-14,16-17,30H,5-10,15H2,1-2H3,(H2,29,31);2-6,9-11,14,17-19H,7-8,12-13H2,1H3,(H2,29,30);1-4,9-11,13,26H,5-8,12H2,(H2,25,27).

What are the key properties of 3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine?

3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine has a molecular weight of 2020.22 g/mol, XLogP of 15.00, 27 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2,3-difluoro-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]tetrazol-5-yl]-5-phenylpyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(3-methylbutyl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridin-2-amine;3-[1-[2,3-difluoro-4-(piperidin-4-ylmethoxy)phenyl]tetrazol-5-yl]-5-thiophen-2-ylpyridin-2-amine is sourced from PubChem (CID 158547607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).