4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine

C124H134F6N38O7 — CID 159054350

IUPAC4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3ccc(C)nc3)nc(-c3cccnc3N)c1-2.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C(C)(C)C)nc3)nc(N3CC4CC3C[C@H]4C)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C(C)(C)N)nc3)nc(N3CC4CC3C[C@H]4C)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(N)C(C(=O)NCCN4CCOCC4)C3)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(CF)nc3)nc(N3CC4CC3C[C@H]4C)c12
InChIInChI=1S/C27H33FN10O3.C26H30FN7O.C25H29FN8O.C23H23F2N7O.C23H19FN6O/c1-15-32-11-17(12-33-15)41-27-35-24-22(18-9-16(28)10-21(30-2)23(18)34-24)25(36-27)38-13-19(20(29)14-38)26(39)31-3-4-37-5-7-40-8-6-37;1-13-6-16-7-14(13)12-34(16)23-20-18-8-15(27)9-19(28-5)21(18)31-22(20)32-25(33-23)35-17-10-29-24(30-11-17)26(2,3)4;1-12-5-15-6-13(12)11-34(15)22-19-17-7-14(26)8-18(28-4)20(17)31-21(19)32-24(33-22)35-16-9-29-23(30-10-16)25(2,3)27;1-11-3-14-4-12(11)10-32(14)22-19-16-5-13(25)6-17(26-2)20(16)29-21(19)30-23(31-22)33-15-8-27-18(7-24)28-9-15;1-12-5-6-14(11-28-12)31-23-29-19-10-16-17(8-13(24)9-18(16)26-2)20(19)21(30-23)15-4-3-7-27-22(15)25/h9-12,19-20,30H,3-8,13-14,29H2,1-2H3,(H,31,39)(H,34,35,36);8-11,13-14,16,28H,6-7,12H2,1-5H3,(H,31,32,33);7-10,12-13,15,28H,5-6,11,27H2,1-4H3,(H,31,32,33);5-6,8-9,11-12,14,26H,3-4,7,10H2,1-2H3,(H,29,30,31);3-9,11,26H,10H2,1-2H3,(H2,25,27)/t;13-,14?,16?;12-,13?,15?;11-,12?,14?;/m.111./s1
InChIKeyJXRANYMVKVAMDX-URYVKSSNSA-N
MW2382.68 g/mol
LogP20.05
Rot. Bonds26

About 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine

4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine (PubChem CID 159054350) has the molecular formula C124H134F6N38O7 and a molecular weight of 2382.68 g/mol. Its IUPAC name is 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine.

Molecular Properties

Compound Name4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine
PubChem CID159054350
Molecular FormulaC124H134F6N38O7
Molecular Weight2382.68 g/mol
Exact Mass2381.12
IUPAC Name4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine
SMILESCNc1cc(F)cc2c1Cc1nc(Oc3ccc(C)nc3)nc(-c3cccnc3N)c1-2.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C(C)(C)C)nc3)nc(N3CC4CC3C[C@H]4C)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C(C)(C)N)nc3)nc(N3CC4CC3C[C@H]4C)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(N)C(C(=O)NCCN4CCOCC4)C3)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(CF)nc3)nc(N3CC4CC3C[C@H]4C)c12
InChIInChI=1S/C27H33FN10O3.C26H30FN7O.C25H29FN8O.C23H23F2N7O.C23H19FN6O/c1-15-32-11-17(12-33-15)41-27-35-24-22(18-9-16(28)10-21(30-2)23(18)34-24)25(36-27)38-13-19(20(29)14-38)26(39)31-3-4-37-5-7-40-8-6-37;1-13-6-16-7-14(13)12-34(16)23-20-18-8-15(27)9-19(28-5)21(18)31-22(20)32-25(33-23)35-17-10-29-24(30-11-17)26(2,3)4;1-12-5-15-6-13(12)11-34(15)22-19-17-7-14(26)8-18(28-4)20(17)31-21(19)32-24(33-22)35-16-9-29-23(30-10-16)25(2,3)27;1-11-3-14-4-12(11)10-32(14)22-19-16-5-13(25)6-17(26-2)20(16)29-21(19)30-23(31-22)33-15-8-27-18(7-24)28-9-15;1-12-5-6-14(11-28-12)31-23-29-19-10-16-17(8-13(24)9-18(16)26-2)20(19)21(30-23)15-4-3-7-27-22(15)25/h9-12,19-20,30H,3-8,13-14,29H2,1-2H3,(H,31,39)(H,34,35,36);8-11,13-14,16,28H,6-7,12H2,1-5H3,(H,31,32,33);7-10,12-13,15,28H,5-6,11,27H2,1-4H3,(H,31,32,33);5-6,8-9,11-12,14,26H,3-4,7,10H2,1-2H3,(H,29,30,31);3-9,11,26H,10H2,1-2H3,(H2,25,27)/t;13-,14?,16?;12-,13?,15?;11-,12?,14?;/m.111./s1
InChIKeyJXRANYMVKVAMDX-URYVKSSNSA-N
XLogP20.05
TPSA559.85 Ų
H-Bond Donors13
H-Bond Acceptors40
Rotatable Bonds26
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002382.68
LogP ≤ 520.05
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1040

Analyze 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine?
The IUPAC name of 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine (CID 159054350) is 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine.
What is the SMILES notation for 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine?
The canonical SMILES for 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine is CNc1cc(F)cc2c1Cc1nc(Oc3ccc(C)nc3)nc(-c3cccnc3N)c1-2.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C(C)(C)C)nc3)nc(N3CC4CC3C[C@H]4C)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C(C)(C)N)nc3)nc(N3CC4CC3C[C@H]4C)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(N)C(C(=O)NCCN4CCOCC4)C3)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(CF)nc3)nc(N3CC4CC3C[C@H]4C)c12.
What is the InChIKey of 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine?
The InChIKey is JXRANYMVKVAMDX-URYVKSSNSA-N. The full InChI is InChI=1S/C27H33FN10O3.C26H30FN7O.C25H29FN8O.C23H23F2N7O.C23H19FN6O/c1-15-32-11-17(12-33-15)41-27-35-24-22(18-9-16(28)10-21(30-2)23(18)34-24)25(36-27)38-13-19(20(29)14-38)26(39)31-3-4-37-5-7-40-8-6-37;1-13-6-16-7-14(13)12-34(16)23-20-18-8-15(27)9-19(28-5)21(18)31-22(20)32-25(33-23)35-17-10-29-24(30-11-17)26(2,3)4;1-12-5-15-6-13(12)11-34(15)22-19-17-7-14(26)8-18(28-4)20(17)31-21(19)32-24(33-22)35-16-9-29-23(30-10-16)25(2,3)27;1-11-3-14-4-12(11)10-32(14)22-19-16-5-13(25)6-17(26-2)20(16)29-21(19)30-23(31-22)33-15-8-27-18(7-24)28-9-15;1-12-5-6-14(11-28-12)31-23-29-19-10-16-17(8-13(24)9-18(16)26-2)20(19)21(30-23)15-4-3-7-27-22(15)25/h9-12,19-20,30H,3-8,13-14,29H2,1-2H3,(H,31,39)(H,34,35,36);8-11,13-14,16,28H,6-7,12H2,1-5H3,(H,31,32,33);7-10,12-13,15,28H,5-6,11,27H2,1-4H3,(H,31,32,33);5-6,8-9,11-12,14,26H,3-4,7,10H2,1-2H3,(H,29,30,31);3-9,11,26H,10H2,1-2H3,(H2,25,27)/t;13-,14?,16?;12-,13?,15?;11-,12?,14?;/m.111./s1.
What are the key properties of 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine?
4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine has a molecular weight of 2382.68 g/mol, XLogP of 20.05, 26 rotatable bonds, 13 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-morpholin-4-ylethyl)pyrrolidine-3-carboxamide;2-[2-(2-aminopropan-2-yl)pyrimidin-5-yl]oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;4-(2-amino-3-pyridinyl)-6-fluoro-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine;2-(2-tert-butylpyrimidin-5-yl)oxy-6-fluoro-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine;6-fluoro-2-[2-(fluoromethyl)pyrimidin-5-yl]oxy-N-methyl-4-[(5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-8-amine is sourced from PubChem (CID 159054350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).