5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane

C111H117F6N43O4S — CID 159636821

About 5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane

5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane (PubChem CID 159636821) has the molecular formula C111H117F6N43O4S and a molecular weight of 2263.51 g/mol. Its IUPAC name is 5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane.

Molecular Properties

• Compound Name: 5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane
• PubChem CID: 159636821
• Molecular Formula: C111H117F6N43O4S
• Molecular Weight: 2263.51 g/mol
• Exact Mass: 2261.99
• IUPAC Name: 5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane
• SMILES: C.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)c(F)c1.COc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1.COc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)cc1F.COc1ccc(-n2nnnc2-c2cc(-c3cnn(C4C[C@H]5CNC[C@H]5C4)c3)cnc2N)c(F)c1F.Cc1ccc(-n2nnnc2-c2cc(-c3cnn(C4C[C@H]5CNC[C@H]5C4)c3)cnc2N)c(F)c1C
• InChI: InChI=1S/C24H26FN9.C23H23F2N9O.2C21H22FN9O.C21H20FN7OS.CH4/c1-13-3-4-21(22(25)14(13)2)34-24(30-31-32-34)20-7-17(10-28-23(20)26)18-11-29-33(12-18)19-5-15-8-27-9-16(15)6-19;1-35-19-3-2-18(20(24)21(19)25)34-23(30-31-32-34)17-6-14(9-28-22(17)26)15-10-29-33(11-15)16-4-12-7-27-8-13(12)5-16;1-32-16-2-3-19(18(22)9-16)31-21(27-28-29-31)17-8-13(10-25-20(17)23)14-11-26-30(12-14)15-4-6-24-7-5-15;1-32-19-3-2-16(9-18(19)22)31-21(27-28-29-31)17-8-13(10-25-20(17)23)14-11-26-30(12-14)15-4-6-24-7-5-15;1-30-14-2-3-17(16(22)10-14)29-21(26-27-28-29)15-8-13(11-25-20(15)23)19-9-12-4-6-24-7-5-18(12)31-19;/h3-4,7,10-12,15-16,19,27H,5-6,8-9H2,1-2H3,(H2,26,28);2-3,6,9-13,16,27H,4-5,7-8H2,1H3,(H2,26,28);2*2-3,8-12,15,24H,4-7H2,1H3,(H2,23,25);2-3,8-11,24H,4-7H2,1H3,(H2,23,25);1H4/t15-,16+,19?;12-,13+,16?
• InChIKey: MPVRNGVYQOKOKQ-ZANFVGBSSA-N
• XLogP: 13.72
• TPSA: 580.90 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 48
• Rotatable Bonds: 23
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2263.51
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane?

The IUPAC name of 5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane (CID 159636821) is 5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane.

What is the SMILES notation for 5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane?

The canonical SMILES for 5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane is C.COc1ccc(-n2nnnc2-c2cc(-c3cc4c(s3)CCNCC4)cnc2N)c(F)c1.COc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)c(F)c1.COc1ccc(-n2nnnc2-c2cc(-c3cnn(C4CCNCC4)c3)cnc2N)cc1F.COc1ccc(-n2nnnc2-c2cc(-c3cnn(C4C[C@H]5CNC[C@H]5C4)c3)cnc2N)c(F)c1F.Cc1ccc(-n2nnnc2-c2cc(-c3cnn(C4C[C@H]5CNC[C@H]5C4)c3)cnc2N)c(F)c1C.

What is the InChIKey of 5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane?

The InChIKey is MPVRNGVYQOKOKQ-ZANFVGBSSA-N. The full InChI is InChI=1S/C24H26FN9.C23H23F2N9O.2C21H22FN9O.C21H20FN7OS.CH4/c1-13-3-4-21(22(25)14(13)2)34-24(30-31-32-34)20-7-17(10-28-23(20)26)18-11-29-33(12-18)19-5-15-8-27-9-16(15)6-19;1-35-19-3-2-18(20(24)21(19)25)34-23(30-31-32-34)17-6-14(9-28-22(17)26)15-10-29-33(11-15)16-4-12-7-27-8-13(12)5-16;1-32-16-2-3-19(18(22)9-16)31-21(27-28-29-31)17-8-13(10-25-20(17)23)14-11-26-30(12-14)15-4-6-24-7-5-15;1-32-19-3-2-16(9-18(19)22)31-21(27-28-29-31)17-8-13(10-25-20(17)23)14-11-26-30(12-14)15-4-6-24-7-5-15;1-30-14-2-3-17(16(22)10-14)29-21(26-27-28-29)15-8-13(11-25-20(15)23)19-9-12-4-6-24-7-5-18(12)31-19;/h3-4,7,10-12,15-16,19,27H,5-6,8-9H2,1-2H3,(H2,26,28);2-3,6,9-13,16,27H,4-5,7-8H2,1H3,(H2,26,28);2*2-3,8-12,15,24H,4-7H2,1H3,(H2,23,25);2-3,8-11,24H,4-7H2,1H3,(H2,23,25);1H4/t15-,16+,19?;12-,13+,16?;;;;.

What are the key properties of 5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane?

5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane has a molecular weight of 2263.51 g/mol, XLogP of 13.72, 23 rotatable bonds, 10 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2,3-difluoro-4-methoxyphenyl)tetrazol-5-yl]pyridin-2-amine;5-[1-[(3aR,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl]pyrazol-4-yl]-3-[1-(2-fluoro-3,4-dimethylphenyl)tetrazol-5-yl]pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(3-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;3-[1-(2-fluoro-4-methoxyphenyl)tetrazol-5-yl]-5-(5,6,7,8-tetrahydro-4H-thieno[2,3-d]azepin-2-yl)pyridin-2-amine;methane is sourced from PubChem (CID 159636821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).