About 4-[(1S,4S,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-pyridazin-4-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[2-(4-prop-1-en-2-ylpiperazin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-8-amine
4-[(1S,4S,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-pyridazin-4-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[2-(4-prop-1-en-2-ylpiperazin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 157168870) has the molecular formula C122H127F5N40O5
and a molecular weight of 2328.62 g/mol. Its IUPAC name is 4-[(1S,4S,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-pyridazin-4-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[2-(4-prop-1-en-2-ylpiperazin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-8-amine.
Frequently Asked Questions
What is the IUPAC name of 4-[(1S,4S,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-pyridazin-4-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[2-(4-prop-1-en-2-ylpiperazin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The IUPAC name of 4-[(1S,4S,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-pyridazin-4-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[2-(4-prop-1-en-2-ylpiperazin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-8-amine (CID 157168870) is 4-[(1S,4S,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-pyridazin-4-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[2-(4-prop-1-en-2-ylpiperazin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-8-amine.
What is the SMILES notation for 4-[(1S,4S,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-pyridazin-4-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[2-(4-prop-1-en-2-ylpiperazin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The canonical SMILES for 4-[(1S,4S,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-pyridazin-4-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[2-(4-prop-1-en-2-ylpiperazin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-8-amine is C=C(C)N1CCN(c2ncc(Oc3nc4c(c(N5CC[C@H](N)C5)n3)-c3cc(F)cc(NC)c3C4)cn2)CC1.CNc1cc(F)cc2c1Cc1nc(Oc3ccnnc3)nc(N3C[C@H](N)C4(CC4)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc4c(c3)ncn4C)nc(N3CC4C[C@@H](N)C4C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc4c(c3)ncn4C)nc(N3CC[C@H](N)C3)c1-2.CNc1cc(F)cc2c1Cc1nc(Oc3cnc4c(c3)ncn4C)nc(N3C[C@H]4C[C@@H](N)[C@@H]3C4)c1-2.
What is the InChIKey of 4-[(1S,4S,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-pyridazin-4-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[2-(4-prop-1-en-2-ylpiperazin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-8-amine?
The InChIKey is ANFNGHWXOQLWEF-KTXXDMQUSA-N. The full InChI is InChI=1S/C27H32FN9O.2C25H25FN8O.C23H23FN8O.C22H22FN7O/c1-16(2)35-6-8-36(9-7-35)26-31-13-19(14-32-26)38-27-33-23-12-20-21(10-17(28)11-22(20)30-3)24(23)25(34-27)37-5-4-18(29)15-37;1-28-19-5-13(26)4-16-15(19)7-20-22(16)24(34-9-12-3-18(27)17(12)10-34)32-25(31-20)35-14-6-21-23(29-8-14)33(2)11-30-21;1-28-18-6-13(26)5-16-15(18)8-19-22(16)24(34-10-12-3-17(27)21(34)4-12)32-25(31-19)35-14-7-20-23(29-9-14)33(2)11-30-20;1-26-17-6-12(24)5-16-15(17)8-18-20(16)22(32-4-3-13(25)10-32)30-23(29-18)33-14-7-19-21(27-9-14)31(2)11-28-19;1-25-16-7-12(23)6-15-14(16)8-17-19(15)20(30-10-18(24)22(11-30)3-4-22)29-21(28-17)31-13-2-5-26-27-9-13/h10-11,13-14,18,30H,1,4-9,12,15,29H2,2-3H3;4-6,8,11-12,17-18,28H,3,7,9-10,27H2,1-2H3;5-7,9,11-12,17,21,28H,3-4,8,10,27H2,1-2H3;5-7,9,11,13,26H,3-4,8,10,25H2,1-2H3;2,5-7,9,18,25H,3-4,8,10-11,24H2,1H3/t18-;12?,17?,18-;12-,17+,21-;13-;18-/m01000/s1.
What are the key properties of 4-[(1S,4S,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-pyridazin-4-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[2-(4-prop-1-en-2-ylpiperazin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-8-amine?
4-[(1S,4S,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-pyridazin-4-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[2-(4-prop-1-en-2-ylpiperazin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 2328.62 g/mol, XLogP of 14.90, 22 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,4S,6R)-6-amino-2-azabicyclo[2.2.1]heptan-2-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(6R)-6-amino-3-azabicyclo[3.2.0]heptan-3-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-pyridazin-4-yloxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-(3-methylimidazo[4,5-b]pyridin-6-yl)oxy-9H-indeno[2,1-d]pyrimidin-8-amine;4-[(3S)-3-aminopyrrolidin-1-yl]-6-fluoro-N-methyl-2-[2-(4-prop-1-en-2-ylpiperazin-1-yl)pyrimidin-5-yl]oxy-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 157168870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).