4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine

C123H132F5N31 — CID 158119386

About 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine

4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 158119386) has the molecular formula C123H132F5N31 and a molecular weight of 2139.62 g/mol. Its IUPAC name is 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

• Compound Name: 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine
• PubChem CID: 158119386
• Molecular Formula: C123H132F5N31
• Molecular Weight: 2139.62 g/mol
• Exact Mass: 2138.12
• IUPAC Name: 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine
• SMILES: CNc1cc(F)cc2c1Cc1nc(Cc3ccc(C)nc3)nc(N3CC4C(N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Cc3ccc(C)nc3)nc(N3CC4CC(N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Cc3ccc(C)nc3)nc(N3CC[C@@]4(C[C@@H]4N)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Cc3ccc(C)nc3)nc(N3CC[C@@]4(C[C@H]4N)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Cc3cnc(C)nc3)nc(N3CC4(CCC4N)C3)c1-2
• InChI: InChI=1S/3C25H27FN6.C24H26FN7.C24H25FN6/c1-13-3-4-14(10-29-13)5-23-30-22-9-17-18(7-16(26)8-21(17)28-2)24(22)25(31-23)32-11-15-6-20(27)19(15)12-32;2*1-14-3-4-15(12-29-14)7-22-30-20-10-17-18(8-16(26)9-19(17)28-2)23(20)24(31-22)32-6-5-25(13-32)11-21(25)27;1-13-28-9-14(10-29-13)5-21-30-19-8-16-17(6-15(25)7-18(16)27-2)22(19)23(31-21)32-11-24(12-32)4-3-20(24)26;1-12-3-4-13(9-28-12)5-21-29-20-8-15-16(6-14(25)7-19(15)27-2)22(20)24(30-21)31-10-17-18(11-31)23(17)26/h3-4,7-8,10,15,19-20,28H,5-6,9,11-12,27H2,1-2H3;2*3-4,8-9,12,21,28H,5-7,10-11,13,27H2,1-2H3;6-7,9-10,20,27H,3-5,8,11-12,26H2,1-2H3;3-4,6-7,9,17-18,23,27H,5,8,10-11,26H2,1-2H3/t;21-,25+;21-,25-;;/m.01../s1
• InChIKey: FRKNHWUZKOFQEE-AFIHMFDQSA-N
• XLogP: 15.97
• TPSA: 412.69 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 31
• Rotatable Bonds: 20
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2139.62
LogP ≤ 5	15.97
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine?

The IUPAC name of 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine (CID 158119386) is 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine.

What is the SMILES notation for 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine?

The canonical SMILES for 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine is CNc1cc(F)cc2c1Cc1nc(Cc3ccc(C)nc3)nc(N3CC4C(N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Cc3ccc(C)nc3)nc(N3CC4CC(N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Cc3ccc(C)nc3)nc(N3CC[C@@]4(C[C@@H]4N)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Cc3ccc(C)nc3)nc(N3CC[C@@]4(C[C@H]4N)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Cc3cnc(C)nc3)nc(N3CC4(CCC4N)C3)c1-2.

What is the InChIKey of 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine?

The InChIKey is FRKNHWUZKOFQEE-AFIHMFDQSA-N. The full InChI is InChI=1S/3C25H27FN6.C24H26FN7.C24H25FN6/c1-13-3-4-14(10-29-13)5-23-30-22-9-17-18(7-16(26)8-21(17)28-2)24(22)25(31-23)32-11-15-6-20(27)19(15)12-32;2*1-14-3-4-15(12-29-14)7-22-30-20-10-17-18(8-16(26)9-19(17)28-2)23(20)24(31-22)32-6-5-25(13-32)11-21(25)27;1-13-28-9-14(10-29-13)5-21-30-19-8-16-17(6-15(25)7-18(16)27-2)22(19)23(31-21)32-11-24(12-32)4-3-20(24)26;1-12-3-4-13(9-28-12)5-21-29-20-8-15-16(6-14(25)7-19(15)27-2)22(20)24(30-21)31-10-17-18(11-31)23(17)26/h3-4,7-8,10,15,19-20,28H,5-6,9,11-12,27H2,1-2H3;2*3-4,8-9,12,21,28H,5-7,10-11,13,27H2,1-2H3;6-7,9-10,20,27H,3-5,8,11-12,26H2,1-2H3;3-4,6-7,9,17-18,23,27H,5,8,10-11,26H2,1-2H3/t;21-,25+;21-,25-;;/m.01../s1.

What are the key properties of 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine?

4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 2139.62 g/mol, XLogP of 15.97, 20 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-amino-3-azabicyclo[3.2.0]heptan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine;4-(7-amino-2-azaspiro[3.3]heptan-2-yl)-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)methyl]-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 158119386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).