N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine

C94H113F4N31O5 — CID 163415365

IUPACN-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine
SMILESC1COCCN1.Cn1cc(Nc2ccc3[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c4c3c2)cn1.Cn1cc(Nc2ccc3[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c4c3n2)cn1.FC(F)c1nnc(-c2ccc3[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c4c3c2)o1.FC(F)n1cc(-c2ccc3[nH]c4ncnc(NC5CCCCC5)c4c3c2)cn1
InChIInChI=1S/C24H30N8O.C23H25F2N7O2.C23H29N9O.C20H20F2N6.C4H9NO/c1-31-14-18(13-27-31)28-17-4-7-21-20(12-17)22-23(25-15-26-24(22)30-21)29-16-2-5-19(6-3-16)32-8-10-33-11-9-32;24-19(25)23-31-30-22(34-23)13-1-6-17-16(11-13)18-20(26-12-27-21(18)29-17)28-14-2-4-15(5-3-14)32-7-9-33-10-8-32;1-31-13-16(12-26-31)27-19-7-6-18-21(30-19)20-22(24-14-25-23(20)29-18)28-15-2-4-17(5-3-15)32-8-10-33-11-9-32;21-20(22)28-10-13(9-25-28)12-6-7-16-15(8-12)17-18(23-11-24-19(17)27-16)26-14-4-2-1-3-5-14;1-3-6-4-2-5-1/h4,7,12-16,19,28H,2-3,5-6,8-11H2,1H3,(H2,25,26,29,30);1,6,11-12,14-15,19H,2-5,7-10H2,(H2,26,27,28,29);6-7,12-15,17H,2-5,8-11H2,1H3,(H,27,30)(H2,24,25,28,29);6-11,14,20H,1-5H2,(H2,23,24,26,27);5H,1-4H2
InChIKeyADXWQXWCYJAWON-UHFFFAOYSA-N
MW1833.14 g/mol
LogP15.56
Rot. Bonds19

About N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine

N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine (PubChem CID 163415365) has the molecular formula C94H113F4N31O5 and a molecular weight of 1833.14 g/mol. Its IUPAC name is N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine.

Molecular Properties

Compound NameN-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine
PubChem CID163415365
Molecular FormulaC94H113F4N31O5
Molecular Weight1833.14 g/mol
Exact Mass1831.95
IUPAC NameN-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine
SMILESC1COCCN1.Cn1cc(Nc2ccc3[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c4c3c2)cn1.Cn1cc(Nc2ccc3[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c4c3n2)cn1.FC(F)c1nnc(-c2ccc3[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c4c3c2)o1.FC(F)n1cc(-c2ccc3[nH]c4ncnc(NC5CCCCC5)c4c3c2)cn1
InChIInChI=1S/C24H30N8O.C23H25F2N7O2.C23H29N9O.C20H20F2N6.C4H9NO/c1-31-14-18(13-27-31)28-17-4-7-21-20(12-17)22-23(25-15-26-24(22)30-21)29-16-2-5-19(6-3-16)32-8-10-33-11-9-32;24-19(25)23-31-30-22(34-23)13-1-6-17-16(11-13)18-20(26-12-27-21(18)29-17)28-14-2-4-15(5-3-14)32-7-9-33-10-8-32;1-31-13-16(12-26-31)27-19-7-6-18-21(30-19)20-22(24-14-25-23(20)29-18)28-15-2-4-17(5-3-15)32-8-10-33-11-9-32;21-20(22)28-10-13(9-25-28)12-6-7-16-15(8-12)17-18(23-11-24-19(17)27-16)26-14-4-2-1-3-5-14;1-3-6-4-2-5-1/h4,7,12-16,19,28H,2-3,5-6,8-11H2,1H3,(H2,25,26,29,30);1,6,11-12,14-15,19H,2-5,7-10H2,(H2,26,27,28,29);6-7,12-15,17H,2-5,8-11H2,1H3,(H,27,30)(H2,24,25,28,29);6-11,14,20H,1-5H2,(H2,23,24,26,27);5H,1-4H2
InChIKeyADXWQXWCYJAWON-UHFFFAOYSA-N
XLogP15.56
TPSA402.40 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds19
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001833.14
LogP ≤ 515.56
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Analyze N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine with MolForge

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Launch Full Analysis

Related Compounds

N,N-dimethyl-1-[3-methyl-1-[2-[1-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)indol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]pyrazol-4-yl]methanamine
CID 162660174
N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 130425808
3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine
CID 148965503
1-cyclopentyl-N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
CID 157498663
2-[3-[5-[4-(2-aminoethyl)anilino]triazolo[4,5-d]pyrimidin-3-yl]phenyl]ethanol;2-[3-[5-[4-(aminomethyl)anilino]triazolo[4,5-d]pyrimidin-3-yl]phenyl]acetonitrile;3-(3-fluorophenyl)-N-[4-[(2,2,2-trifluoroethylamino)methyl]phenyl]triazolo[4,5-d]pyrimidin-5-amine;4-[[3-[3-(methoxymethyl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]-N,N-dimethylbenzamide;2-[3-[5-[4-[(2,2,2-trifluoroethylamino)methyl]anilino]triazolo[4,5-d]pyrimidin-3-yl]phenyl]ethanol
CID 157539700
2-(2-fluoropropan-2-yl)-N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]pyridine-4-carboxamide;2-(2-fluoropropan-2-yl)-N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide;N-[4-methyl-3-[2-morpholin-4-yl-6-[[(2S)-pyrrolidin-2-yl]methoxy]-4-pyridinyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 157812885
1-cyclopentyl-N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 157942100
4-[4-[acetyl(dimethylamino)amino]-1,3,5-triazin-2-yl]-N-[(1S)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrrole-2-carboxamide;N-[(1S)-1-(3-aminophenyl)-2-hydroxyethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide;bis(N-[(1S)-2-hydroxy-1-(3-methylphenyl)ethyl]-4-(7H-purin-6-yl)-1H-pyrrole-2-carboxamide);N-[(1S)-2-hydroxy-1-[3-(trifluoromethyl)phenyl]ethyl]-4-(2H-triazolo[4,5-d]pyrimidin-7-yl)-1H-pyrrole-2-carboxamide
CID 158006311
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 158328338
2-(3-amino-2,4-difluorophenyl)-1-[3-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;tert-butyl 2-[2,6-difluoro-3-[2-[3-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]-2-oxoethyl]phenyl]acetate;2-[2,4-difluoro-3-[[3-[9-(oxan-2-yl)purin-6-yl]-2-pyridinyl]methyl]phenyl]-1-[3-(4-methylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]ethanone;6-(2-fluoro-3-pyridinyl)-7H-purine;oxane;oxolane
CID 158675392
16-(4-Imidazo[1,2-a]pyrimidin-2-ylphenyl)-9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;9-[3-methyl-5-(trifluoromethyl)phenyl]-16-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaene;2-phenyl-5-(9-phenyl-4,9-diazahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-16-yl)-1,3,4-oxadiazole
CID 158772688

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine?
The IUPAC name of N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine (CID 163415365) is N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine.
What is the SMILES notation for N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine?
The canonical SMILES for N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine is C1COCCN1.Cn1cc(Nc2ccc3[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c4c3c2)cn1.Cn1cc(Nc2ccc3[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c4c3n2)cn1.FC(F)c1nnc(-c2ccc3[nH]c4ncnc(NC5CCC(N6CCOCC6)CC5)c4c3c2)o1.FC(F)n1cc(-c2ccc3[nH]c4ncnc(NC5CCCCC5)c4c3c2)cn1.
What is the InChIKey of N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine?
The InChIKey is ADXWQXWCYJAWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O.C23H25F2N7O2.C23H29N9O.C20H20F2N6.C4H9NO/c1-31-14-18(13-27-31)28-17-4-7-21-20(12-17)22-23(25-15-26-24(22)30-21)29-16-2-5-19(6-3-16)32-8-10-33-11-9-32;24-19(25)23-31-30-22(34-23)13-1-6-17-16(11-13)18-20(26-12-27-21(18)29-17)28-14-2-4-15(5-3-14)32-7-9-33-10-8-32;1-31-13-16(12-26-31)27-19-7-6-18-21(30-19)20-22(24-14-25-23(20)29-18)28-15-2-4-17(5-3-15)32-8-10-33-11-9-32;21-20(22)28-10-13(9-25-28)12-6-7-16-15(8-12)17-18(23-11-24-19(17)27-16)26-14-4-2-1-3-5-14;1-3-6-4-2-5-1/h4,7,12-16,19,28H,2-3,5-6,8-11H2,1H3,(H2,25,26,29,30);1,6,11-12,14-15,19H,2-5,7-10H2,(H2,26,27,28,29);6-7,12-15,17H,2-5,8-11H2,1H3,(H,27,30)(H2,24,25,28,29);6-11,14,20H,1-5H2,(H2,23,24,26,27);5H,1-4H2.
What are the key properties of N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine?
N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine has a molecular weight of 1833.14 g/mol, XLogP of 15.56, 19 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-[1-(difluoromethyl)pyrazol-4-yl]-9H-pyrimido[4,5-b]indol-4-amine;6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indol-4-amine;6-N-(1-methylpyrazol-4-yl)-4-N-(4-morpholin-4-ylcyclohexyl)-9H-pyrimido[4,5-b]indole-4,6-diamine;4-N-(1-methylpyrazol-4-yl)-13-N-(4-morpholin-4-ylcyclohexyl)-3,8,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4,13-diamine;morpholine is sourced from PubChem (CID 163415365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).