4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate

C120H127F8N39O9 — CID 160939784

IUPAC4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3ccc(C#N)nc3)nc(N3CC4C[C@@H]3C[C@H]4C)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C)C(C(=O)OC)C3)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C)C(C(F)(F)F)C3)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(N)C(C(=O)N4CCCCC4)C3)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(N)C(C(=O)NCC(C)C)C3)c12
InChIInChI=1S/C26H30FN9O2.C25H30FN9O2.C24H22FN7O.C23H24FN7O3.C22H21F4N7O/c1-14-30-10-16(11-31-14)38-26-33-23-21(17-8-15(27)9-20(29-2)22(17)32-23)24(34-26)36-12-18(19(28)13-36)25(37)35-6-4-3-5-7-35;1-12(2)7-31-24(36)17-10-35(11-18(17)27)23-20-16-5-14(26)6-19(28-4)21(16)32-22(20)33-25(34-23)37-15-8-29-13(3)30-9-15;1-12-5-16-6-13(12)11-32(16)23-20-18-7-14(25)8-19(27-2)21(18)29-22(20)30-24(31-23)33-17-4-3-15(9-26)28-10-17;1-11-9-31(10-16(11)22(32)33-4)21-18-15-5-13(24)6-17(25-3)19(15)28-20(18)29-23(30-21)34-14-7-26-12(2)27-8-14;1-10-8-33(9-15(10)22(24,25)26)20-17-14-4-12(23)5-16(27-3)18(14)30-19(17)31-21(32-20)34-13-6-28-11(2)29-7-13/h8-11,18-19,29H,3-7,12-13,28H2,1-2H3,(H,32,33,34);5-6,8-9,12,17-18,28H,7,10-11,27H2,1-4H3,(H,31,36)(H,32,33,34);3-4,7-8,10,12-13,16,27H,5-6,11H2,1-2H3,(H,29,30,31);5-8,11,16,25H,9-10H2,1-4H3,(H,28,29,30);4-7,10,15,27H,8-9H2,1-3H3,(H,30,31,32)/t;;12-,13?,16+;;/m..1../s1
InChIKeySUIVYKZJNGGPLW-OHHZXQITSA-N
MW2411.58 g/mol
LogP18.51
Rot. Bonds25

About 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate

4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate (PubChem CID 160939784) has the molecular formula C120H127F8N39O9 and a molecular weight of 2411.58 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-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate.

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-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate
PubChem CID160939784
Molecular FormulaC120H127F8N39O9
Molecular Weight2411.58 g/mol
Exact Mass2410.06
IUPAC Name4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate
SMILESCNc1cc(F)cc2c1[nH]c1nc(Oc3ccc(C#N)nc3)nc(N3CC4C[C@@H]3C[C@H]4C)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C)C(C(=O)OC)C3)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C)C(C(F)(F)F)C3)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(N)C(C(=O)N4CCCCC4)C3)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(N)C(C(=O)NCC(C)C)C3)c12
InChIInChI=1S/C26H30FN9O2.C25H30FN9O2.C24H22FN7O.C23H24FN7O3.C22H21F4N7O/c1-14-30-10-16(11-31-14)38-26-33-23-21(17-8-15(27)9-20(29-2)22(17)32-23)24(34-26)36-12-18(19(28)13-36)25(37)35-6-4-3-5-7-35;1-12(2)7-31-24(36)17-10-35(11-18(17)27)23-20-16-5-14(26)6-19(28-4)21(16)32-22(20)33-25(34-23)37-15-8-29-13(3)30-9-15;1-12-5-16-6-13(12)11-32(16)23-20-18-7-14(25)8-19(27-2)21(18)29-22(20)30-24(31-23)33-17-4-3-15(9-26)28-10-17;1-11-9-31(10-16(11)22(32)33-4)21-18-15-5-13(24)6-17(25-3)19(15)28-20(18)29-23(30-21)34-14-7-26-12(2)27-8-14;1-10-8-33(9-15(10)22(24,25)26)20-17-14-4-12(23)5-16(27-3)18(14)30-19(17)31-21(32-20)34-13-6-28-11(2)29-7-13/h8-11,18-19,29H,3-7,12-13,28H2,1-2H3,(H,32,33,34);5-6,8-9,12,17-18,28H,7,10-11,27H2,1-4H3,(H,31,36)(H,32,33,34);3-4,7-8,10,12-13,16,27H,5-6,11H2,1-2H3,(H,29,30,31);5-8,11,16,25H,9-10H2,1-4H3,(H,28,29,30);4-7,10,15,27H,8-9H2,1-3H3,(H,30,31,32)/t;;12-,13?,16+;;/m..1../s1
InChIKeySUIVYKZJNGGPLW-OHHZXQITSA-N
XLogP18.51
TPSA597.90 Ų
H-Bond Donors13
H-Bond Acceptors41
Rotatable Bonds25
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002411.58
LogP ≤ 518.51
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1041

Analyze 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate 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-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate?
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-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate (CID 160939784) is 4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate.
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-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate?
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-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate is CNc1cc(F)cc2c1[nH]c1nc(Oc3ccc(C#N)nc3)nc(N3CC4C[C@@H]3C[C@H]4C)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C)C(C(=O)OC)C3)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(C)C(C(F)(F)F)C3)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(N)C(C(=O)N4CCCCC4)C3)c12.CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(N)C(C(=O)NCC(C)C)C3)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-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate?
The InChIKey is SUIVYKZJNGGPLW-OHHZXQITSA-N. The full InChI is InChI=1S/C26H30FN9O2.C25H30FN9O2.C24H22FN7O.C23H24FN7O3.C22H21F4N7O/c1-14-30-10-16(11-31-14)38-26-33-23-21(17-8-15(27)9-20(29-2)22(17)32-23)24(34-26)36-12-18(19(28)13-36)25(37)35-6-4-3-5-7-35;1-12(2)7-31-24(36)17-10-35(11-18(17)27)23-20-16-5-14(26)6-19(28-4)21(16)32-22(20)33-25(34-23)37-15-8-29-13(3)30-9-15;1-12-5-16-6-13(12)11-32(16)23-20-18-7-14(25)8-19(27-2)21(18)29-22(20)30-24(31-23)33-17-4-3-15(9-26)28-10-17;1-11-9-31(10-16(11)22(32)33-4)21-18-15-5-13(24)6-17(25-3)19(15)28-20(18)29-23(30-21)34-14-7-26-12(2)27-8-14;1-10-8-33(9-15(10)22(24,25)26)20-17-14-4-12(23)5-16(27-3)18(14)30-19(17)31-21(32-20)34-13-6-28-11(2)29-7-13/h8-11,18-19,29H,3-7,12-13,28H2,1-2H3,(H,32,33,34);5-6,8-9,12,17-18,28H,7,10-11,27H2,1-4H3,(H,31,36)(H,32,33,34);3-4,7-8,10,12-13,16,27H,5-6,11H2,1-2H3,(H,29,30,31);5-8,11,16,25H,9-10H2,1-4H3,(H,28,29,30);4-7,10,15,27H,8-9H2,1-3H3,(H,30,31,32)/t;;12-,13?,16+;;/m..1../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-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate?
4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate has a molecular weight of 2411.58 g/mol, XLogP of 18.51, 25 rotatable bonds, 13 hydrogen bond donors, and 41 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-methylpropyl)pyrrolidine-3-carboxamide;[4-amino-1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]pyrrolidin-3-yl]-piperidin-1-ylmethanone;5-[[6-fluoro-8-(methylamino)-4-[(1S,5R)-5-methyl-2-azabicyclo[2.2.1]heptan-2-yl]-9H-pyrimido[4,5-b]indol-2-yl]oxy]pyridine-2-carbonitrile;6-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)oxy-4-[3-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-9H-pyrimido[4,5-b]indol-8-amine;methyl 1-[6-fluoro-8-(methylamino)-2-(2-methylpyrimidin-5-yl)oxy-9H-pyrimido[4,5-b]indol-4-yl]-4-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 160939784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).