N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine

C106H110F10N28O3S — CID 165049961

About N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine

N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 165049961) has the molecular formula C106H110F10N28O3S and a molecular weight of 2046.29 g/mol. Its IUPAC name is N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 165049961
• Molecular Formula: C106H110F10N28O3S
• Molecular Weight: 2046.29 g/mol
• Exact Mass: 2044.89
• IUPAC Name: N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine
• SMILES: Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CC6(C5)CC(F)(F)C6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CC6(C5)CS(=O)(=O)C6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CC6(CCC6)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCC56COC6)cn4)ncc3F)cc2n1C(C)C
• InChI: InChI=1S/C27H27F4N7.C27H29F2N7.C26H27F2N7O2S.C26H27F2N7O/c1-15(2)38-16(3)34-24-19(28)6-18(7-21(24)38)23-20(29)9-33-25(36-23)35-22-5-4-17(8-32-22)10-37-13-26(14-37)11-27(30,31)12-26;1-16(2)36-17(3)32-25-20(28)9-19(10-22(25)36)24-21(29)12-31-26(34-24)33-23-6-5-18(11-30-23)13-35-14-27(15-35)7-4-8-27;1-15(2)35-16(3)31-24-19(27)6-18(7-21(24)35)23-20(28)9-30-25(33-23)32-22-5-4-17(8-29-22)10-34-11-26(12-34)13-38(36,37)14-26;1-15(2)35-16(3)31-24-19(27)8-18(9-21(24)35)23-20(28)11-30-25(33-23)32-22-5-4-17(10-29-22)12-34-7-6-26(34)13-36-14-26/h4-9,15H,10-14H2,1-3H3,(H,32,33,35,36);5-6,9-12,16H,4,7-8,13-15H2,1-3H3,(H,30,31,33,34);4-9,15H,10-14H2,1-3H3,(H,29,30,32,33);4-5,8-11,15H,6-7,12-14H2,1-3H3,(H,29,30,32,33)
• InChIKey: PMUJNYXXOFGZID-UHFFFAOYSA-N
• XLogP: 20.62
• TPSA: 330.41 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2046.29
LogP ≤ 5	20.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine (CID 165049961) is N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine is Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CC6(C5)CC(F)(F)C6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CC6(C5)CS(=O)(=O)C6)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CC6(CCC6)C5)cn4)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc(CN5CCC56COC6)cn4)ncc3F)cc2n1C(C)C.

What is the InChIKey of N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is PMUJNYXXOFGZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F4N7.C27H29F2N7.C26H27F2N7O2S.C26H27F2N7O/c1-15(2)38-16(3)34-24-19(28)6-18(7-21(24)38)23-20(29)9-33-25(36-23)35-22-5-4-17(8-32-22)10-37-13-26(14-37)11-27(30,31)12-26;1-16(2)36-17(3)32-25-20(28)9-19(10-22(25)36)24-21(29)12-31-26(34-24)33-23-6-5-18(11-30-23)13-35-14-27(15-35)7-4-8-27;1-15(2)35-16(3)31-24-19(27)6-18(7-21(24)35)23-20(28)9-30-25(33-23)32-22-5-4-17(8-29-22)10-34-11-26(12-34)13-38(36,37)14-26;1-15(2)35-16(3)31-24-19(27)8-18(9-21(24)35)23-20(28)11-30-25(33-23)32-22-5-4-17(10-29-22)12-34-7-6-26(34)13-36-14-26/h4-9,15H,10-14H2,1-3H3,(H,32,33,35,36);5-6,9-12,16H,4,7-8,13-15H2,1-3H3,(H,30,31,33,34);4-9,15H,10-14H2,1-3H3,(H,29,30,32,33);4-5,8-11,15H,6-7,12-14H2,1-3H3,(H,29,30,32,33).

What are the key properties of N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine?

N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 2046.29 g/mol, XLogP of 20.62, 24 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-azaspiro[3.3]heptan-2-ylmethyl)-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(6,6-difluoro-2-azaspiro[3.3]heptan-2-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;N-[5-[(2,2-dioxo-2λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(6-oxa-1-azaspiro[3.3]heptan-1-ylmethyl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 165049961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).