2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine

C117H124F9N27O — CID 157105100

About 2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine

2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine (PubChem CID 157105100) has the molecular formula C117H124F9N27O and a molecular weight of 2095.45 g/mol. Its IUPAC name is 2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine.

Molecular Properties

• Compound Name: 2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine
• PubChem CID: 157105100
• Molecular Formula: C117H124F9N27O
• Molecular Weight: 2095.45 g/mol
• Exact Mass: 2094.03
• IUPAC Name: 2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine
• SMILES: CC1C2CCC(CC2)C1Cc1nc(-c2c[nH]c3c(N(C)C)cccc23)ncc1F.CC1C2CCC(CC2)C1Nc1nc(-c2[nH]nc3c(F)cc(F)cc23)nc2c1ccn2C.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2[nH]nc3c(F)cc(F)cc23)nc2c1ccn2C.C[C@H]1C2CCC(CC2)[C@@H]1Nc1cc(-c2ccco2)nc(-c2[nH]nc3c(F)cc(F)cc23)n1.C[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2[nH]nc3c(F)cc(F)cc23)nc2c1ccn2C
• InChI: InChI=1S/C24H23F2N5O.C24H29FN4.3C23H24F2N6/c1-12-13-4-6-14(7-5-13)21(12)28-20-11-18(19-3-2-8-32-19)27-24(29-20)23-16-9-15(25)10-17(26)22(16)30-31-23;1-14-15-7-9-16(10-8-15)18(14)11-21-20(25)13-27-24(28-21)19-12-26-23-17(19)5-4-6-22(23)29(2)3;3*1-11-12-3-5-13(6-4-12)18(11)26-21-15-7-8-31(2)23(15)28-22(27-21)20-16-9-14(24)10-17(25)19(16)29-30-20/h2-3,8-14,21H,4-7H2,1H3,(H,30,31)(H,27,28,29);4-6,12-16,18,26H,7-11H2,1-3H3;3*7-13,18H,3-6H2,1-2H3,(H,29,30)(H,26,27,28)/t12-,13?,14?,21+;;2*11-,12?,13?,18+;/m0.10./s1
• InChIKey: AGFAJWHSCPYWRS-IHCBUIBBSA-N
• XLogP: 26.32
• TPSA: 338.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2095.45
LogP ≤ 5	26.32
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine?

The IUPAC name of 2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine (CID 157105100) is 2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine.

What is the SMILES notation for 2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine?

The canonical SMILES for 2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine is CC1C2CCC(CC2)C1Cc1nc(-c2c[nH]c3c(N(C)C)cccc23)ncc1F.CC1C2CCC(CC2)C1Nc1nc(-c2[nH]nc3c(F)cc(F)cc23)nc2c1ccn2C.C[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2[nH]nc3c(F)cc(F)cc23)nc2c1ccn2C.C[C@H]1C2CCC(CC2)[C@@H]1Nc1cc(-c2ccco2)nc(-c2[nH]nc3c(F)cc(F)cc23)n1.C[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(-c2[nH]nc3c(F)cc(F)cc23)nc2c1ccn2C.

What is the InChIKey of 2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine?

The InChIKey is AGFAJWHSCPYWRS-IHCBUIBBSA-N. The full InChI is InChI=1S/C24H23F2N5O.C24H29FN4.3C23H24F2N6/c1-12-13-4-6-14(7-5-13)21(12)28-20-11-18(19-3-2-8-32-19)27-24(29-20)23-16-9-15(25)10-17(26)22(16)30-31-23;1-14-15-7-9-16(10-8-15)18(14)11-21-20(25)13-27-24(28-21)19-12-26-23-17(19)5-4-6-22(23)29(2)3;3*1-11-12-3-5-13(6-4-12)18(11)26-21-15-7-8-31(2)23(15)28-22(27-21)20-16-9-14(24)10-17(25)19(16)29-30-20/h2-3,8-14,21H,4-7H2,1H3,(H,30,31)(H,27,28,29);4-6,12-16,18,26H,7-11H2,1-3H3;3*7-13,18H,3-6H2,1-2H3,(H,29,30)(H,26,27,28)/t12-,13?,14?,21+;;2*11-,12?,13?,18+;/m0.10./s1.

What are the key properties of 2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine?

2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine has a molecular weight of 2095.45 g/mol, XLogP of 26.32, 17 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,7-difluoro-2H-indazol-3-yl)-6-(furan-2-yl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrrolo[2,3-d]pyrimidin-4-amine;2-(5,7-difluoro-2H-indazol-3-yl)-7-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrrolo[2,3-d]pyrimidin-4-amine;3-[5-fluoro-4-[(3-methyl-2-bicyclo[2.2.2]octanyl)methyl]pyrimidin-2-yl]-N,N-dimethyl-1H-indol-7-amine is sourced from PubChem (CID 157105100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).