N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate

C154H194FN37O24S2 — CID 160522083

IUPACN-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate
SMILESCC1CC1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(=O)O)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(N)=O)cc3c2)ncn1.CCCNC1C=C(C(=O)Nc2ccc3nn(CC(=O)OCC)cc3c2)NC=N1.CCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)CCCC(=O)O)cc2)ncn1.CCOC(=O)CCS(=O)(=O)Cc1ccc(NC(=O)c2cc(N(CC)CC3CC3)ncn2)cc1.O=C(Nc1ccc(C(=O)O)c(F)c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1.[H]/N=C/N=C(/C=C/C(O)Nc1ccc2n[nH]c(CCC(=O)OC)c2c1)N(CCC)CC1CC1
InChIInChI=1S/C23H32N6O3.C23H30N4O5S.C22H25FN4O3.C21H25N7O2.C21H24N6O3.C21H26N4O5S.C19H24N6O3.C4H8/c1-3-12-29(14-16-4-5-16)21(25-15-24)9-10-22(30)26-17-6-7-19-18(13-17)20(28-27-19)8-11-23(31)32-2;1-3-27(14-17-5-6-17)21-13-20(24-16-25-21)23(29)26-19-9-7-18(8-10-19)15-33(30,31)12-11-22(28)32-4-2;23-18-10-15(8-9-17(18)22(29)30)26-21(28)19-11-20(25-13-24-19)27(12-14-6-7-14)16-4-2-1-3-5-16;1-2-7-27(10-14-3-4-14)20-9-18(23-13-24-20)21(30)25-16-5-6-17-15(8-16)11-28(26-17)12-19(22)29;1-2-7-26(10-14-3-4-14)19-9-18(22-13-23-19)21(30)24-16-5-6-17-15(8-16)11-27(25-17)12-20(28)29;1-2-25(13-15-5-6-15)19-12-18(22-14-23-19)21(28)24-16-7-9-17(10-8-16)31(29,30)11-3-4-20(26)27;1-3-7-20-17-9-16(21-12-22-17)19(27)23-14-5-6-15-13(8-14)10-25(24-15)11-18(26)28-4-2;1-4-2-3-4/h6-7,9-10,13,15-16,22,24,26,30H,3-5,8,11-12,14H2,1-2H3,(H,27,28);7-10,13,16-17H,3-6,11-12,14-15H2,1-2H3,(H,26,29);8-11,13-14,16H,1-7,12H2,(H,26,28)(H,29,30);5-6,8-9,11,13-14H,2-4,7,10,12H2,1H3,(H2,22,29)(H,25,30);5-6,8-9,11,13-14H,2-4,7,10,12H2,1H3,(H,24,30)(H,28,29);7-10,12,14-15H,2-6,11,13H2,1H3,(H,24,28)(H,26,27);5-6,8-10,12,17,20H,3-4,7,11H2,1-2H3,(H,21,22)(H,23,27);4H,2-3H2,1H3/b10-9+,24-15+,25-21-;;;;;;;
InChIKeyQUKGGCYMASOREU-PEUSTFKBSA-N
MW3030.61 g/mol
LogP20.41
Rot. Bonds68

About N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate

N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate (PubChem CID 160522083) has the molecular formula C154H194FN37O24S2 and a molecular weight of 3030.61 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate
PubChem CID160522083
Molecular FormulaC154H194FN37O24S2
Molecular Weight3030.61 g/mol
Exact Mass3028.45
IUPAC NameN-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate
SMILESCC1CC1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(=O)O)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(N)=O)cc3c2)ncn1.CCCNC1C=C(C(=O)Nc2ccc3nn(CC(=O)OCC)cc3c2)NC=N1.CCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)CCCC(=O)O)cc2)ncn1.CCOC(=O)CCS(=O)(=O)Cc1ccc(NC(=O)c2cc(N(CC)CC3CC3)ncn2)cc1.O=C(Nc1ccc(C(=O)O)c(F)c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1.[H]/N=C/N=C(/C=C/C(O)Nc1ccc2n[nH]c(CCC(=O)OC)c2c1)N(CCC)CC1CC1
InChIInChI=1S/C23H32N6O3.C23H30N4O5S.C22H25FN4O3.C21H25N7O2.C21H24N6O3.C21H26N4O5S.C19H24N6O3.C4H8/c1-3-12-29(14-16-4-5-16)21(25-15-24)9-10-22(30)26-17-6-7-19-18(13-17)20(28-27-19)8-11-23(31)32-2;1-3-27(14-17-5-6-17)21-13-20(24-16-25-21)23(29)26-19-9-7-18(8-10-19)15-33(30,31)12-11-22(28)32-4-2;23-18-10-15(8-9-17(18)22(29)30)26-21(28)19-11-20(25-13-24-19)27(12-14-6-7-14)16-4-2-1-3-5-16;1-2-7-27(10-14-3-4-14)20-9-18(23-13-24-20)21(30)25-16-5-6-17-15(8-16)11-28(26-17)12-19(22)29;1-2-7-26(10-14-3-4-14)19-9-18(22-13-23-19)21(30)24-16-5-6-17-15(8-16)11-27(25-17)12-20(28)29;1-2-25(13-15-5-6-15)19-12-18(22-14-23-19)21(28)24-16-7-9-17(10-8-16)31(29,30)11-3-4-20(26)27;1-3-7-20-17-9-16(21-12-22-17)19(27)23-14-5-6-15-13(8-14)10-25(24-15)11-18(26)28-4-2;1-4-2-3-4/h6-7,9-10,13,15-16,22,24,26,30H,3-5,8,11-12,14H2,1-2H3,(H,27,28);7-10,13,16-17H,3-6,11-12,14-15H2,1-2H3,(H,26,29);8-11,13-14,16H,1-7,12H2,(H,26,28)(H,29,30);5-6,8-9,11,13-14H,2-4,7,10,12H2,1H3,(H2,22,29)(H,25,30);5-6,8-9,11,13-14H,2-4,7,10,12H2,1H3,(H,24,30)(H,28,29);7-10,12,14-15H,2-6,11,13H2,1H3,(H,24,28)(H,26,27);5-6,8-10,12,17,20H,3-4,7,11H2,1-2H3,(H,21,22)(H,23,27);4H,2-3H2,1H3/b10-9+,24-15+,25-21-;;;;;;;
InChIKeyQUKGGCYMASOREU-PEUSTFKBSA-N
XLogP20.41
TPSA812.14 Ų
H-Bond Donors16
H-Bond Acceptors48
Rotatable Bonds68
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003030.61
LogP ≤ 520.41
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate with MolForge

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Related Compounds

6-[cyclohexyl(cyclopropylmethyl)amino]-N-[3-fluoro-4-(1-hydroxyethenyl)phenyl]pyrimidine-4-carboxamide;bis(6-[cyclopropylmethyl(propyl)amino]-N-[1-(2-oxopropyl)indazol-5-yl]pyrimidine-4-carboxamide);bis(6-[cyclopropylmethyl(propyl)amino]-N-[2-(2-oxopropyl)indazol-5-yl]pyrimidine-4-carboxamide);ethyl 2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetate;ethyl 3-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate
CID 157094147
N-(3H-benzimidazol-5-yl)-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-4-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indol-4-yl)pyrimidine-4-carboxamide;3-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-2H-indazol-3-yl]propanoic acid;2-[[4-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[[6-[cyclopropylmethyl(hexyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoate
CID 157225826
1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-indazol-4-yl)ethanone;1-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-(1H-indol-4-yl)ethanone;4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoic acid;3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoic acid;2-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]methyl-methylamino]acetic acid;ethyl 3-[[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;ethyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoate
CID 157962131
tert-butyl 3-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylpropanoate;6-[cyclohexyl(cyclopropylmethyl)amino]-N-[4-(hydroxymethyl)phenyl]pyrimidine-4-carboxamide;ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-1-yl]acetate;methyl 4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoate;methyl 4-[4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-3-methylphenyl]sulfonylbutanoate
CID 159045515
4-[2-[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2-fluorobenzoic acid;1-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-(1H-indazol-5-yl)ethanone;2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetic acid;4-[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]sulfonylbutanoic acid;ethyl 2-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]indazol-2-yl]acetate;ethyl 3-[[4-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]phenyl]methylsulfonyl]propanoate;methyl 3-[5-[2-[6-[cyclopropylmethyl(propyl)amino]pyrimidin-4-yl]-2-oxoethyl]-2H-indazol-3-yl]propanoate
CID 159866549
6-[cyclohexyl(cyclopropylmethyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-[4-(3-methoxypropylsulfonyl)phenyl]pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-(2-oxo-1,3-dihydroindol-5-yl)pyrimidine-4-carboxamide;6-[cyclohexyl(methyl)amino]-N-quinolin-4-ylpyrimidine-4-carboxamide;6-[cyclopropylmethyl(propyl)amino]-N-(1H-indazol-5-yl)pyrimidine-4-carboxamide
CID 160891376

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate (CID 160522083) is N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate is CC1CC1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(=O)O)cc3c2)ncn1.CCCN(CC1CC1)c1cc(C(=O)Nc2ccc3nn(CC(N)=O)cc3c2)ncn1.CCCNC1C=C(C(=O)Nc2ccc3nn(CC(=O)OCC)cc3c2)NC=N1.CCN(CC1CC1)c1cc(C(=O)Nc2ccc(S(=O)(=O)CCCC(=O)O)cc2)ncn1.CCOC(=O)CCS(=O)(=O)Cc1ccc(NC(=O)c2cc(N(CC)CC3CC3)ncn2)cc1.O=C(Nc1ccc(C(=O)O)c(F)c1)c1cc(N(CC2CC2)C2CCCCC2)ncn1.[H]/N=C/N=C(/C=C/C(O)Nc1ccc2n[nH]c(CCC(=O)OC)c2c1)N(CCC)CC1CC1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate?
The InChIKey is QUKGGCYMASOREU-PEUSTFKBSA-N. The full InChI is InChI=1S/C23H32N6O3.C23H30N4O5S.C22H25FN4O3.C21H25N7O2.C21H24N6O3.C21H26N4O5S.C19H24N6O3.C4H8/c1-3-12-29(14-16-4-5-16)21(25-15-24)9-10-22(30)26-17-6-7-19-18(13-17)20(28-27-19)8-11-23(31)32-2;1-3-27(14-17-5-6-17)21-13-20(24-16-25-21)23(29)26-19-9-7-18(8-10-19)15-33(30,31)12-11-22(28)32-4-2;23-18-10-15(8-9-17(18)22(29)30)26-21(28)19-11-20(25-13-24-19)27(12-14-6-7-14)16-4-2-1-3-5-16;1-2-7-27(10-14-3-4-14)20-9-18(23-13-24-20)21(30)25-16-5-6-17-15(8-16)11-28(26-17)12-19(22)29;1-2-7-26(10-14-3-4-14)19-9-18(22-13-23-19)21(30)24-16-5-6-17-15(8-16)11-27(25-17)12-20(28)29;1-2-25(13-15-5-6-15)19-12-18(22-14-23-19)21(28)24-16-7-9-17(10-8-16)31(29,30)11-3-4-20(26)27;1-3-7-20-17-9-16(21-12-22-17)19(27)23-14-5-6-15-13(8-14)10-25(24-15)11-18(26)28-4-2;1-4-2-3-4/h6-7,9-10,13,15-16,22,24,26,30H,3-5,8,11-12,14H2,1-2H3,(H,27,28);7-10,13,16-17H,3-6,11-12,14-15H2,1-2H3,(H,26,29);8-11,13-14,16H,1-7,12H2,(H,26,28)(H,29,30);5-6,8-9,11,13-14H,2-4,7,10,12H2,1H3,(H2,22,29)(H,25,30);5-6,8-9,11,13-14H,2-4,7,10,12H2,1H3,(H,24,30)(H,28,29);7-10,12,14-15H,2-6,11,13H2,1H3,(H,24,28)(H,26,27);5-6,8-10,12,17,20H,3-4,7,11H2,1-2H3,(H,21,22)(H,23,27);4H,2-3H2,1H3/b10-9+,24-15+,25-21-;;;;;;;.
What are the key properties of N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate?
N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate has a molecular weight of 3030.61 g/mol, XLogP of 20.41, 68 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)indazol-5-yl]-6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carboxamide;4-[[6-[cyclohexyl(cyclopropylmethyl)amino]pyrimidine-4-carbonyl]amino]-2-fluorobenzoic acid;4-[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]sulfonylbutanoic acid;2-[5-[[6-[cyclopropylmethyl(propyl)amino]pyrimidine-4-carbonyl]amino]indazol-2-yl]acetic acid;ethyl 3-[[4-[[6-[cyclopropylmethyl(ethyl)amino]pyrimidine-4-carbonyl]amino]phenyl]methylsulfonyl]propanoate;ethyl 2-[5-[[4-(propylamino)-1,4-dihydropyrimidine-6-carbonyl]amino]indazol-2-yl]acetate;methylcyclopropane;methyl 3-[5-[[(E)-4-[cyclopropylmethyl(propyl)amino]-1-hydroxy-4-methanimidoyliminobut-2-enyl]amino]-2H-indazol-3-yl]propanoate is sourced from PubChem (CID 160522083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).