2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione

C78H90N22O9S3 — CID 159148425

IUPAC2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione
SMILESC.COc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)CCN)nc12.Cc1ccc(N2CCC(CN)CC2)c(NC(=O)c2cnn3cc(O)cnc23)c1.NC(=O)CCNC(=O)c1csc(-c2ccccc2)n1.O=C1Nc2cn(CCN3CCOCC3)nc2C(=O)NCCCCCc2cc(ccn2)-c2nc1cs2
InChIInChI=1S/C24H29N7O3S.C20H20N6O2S.C20H24N6O2.C13H13N3O2S.CH4/c32-22-20-16-35-24(28-20)17-5-7-25-18(14-17)4-2-1-3-6-26-23(33)21-19(27-22)15-31(29-21)9-8-30-10-12-34-13-11-30;1-26(7-5-21)20-23-10-17-18(25-20)13(11-29-17)19(27)24-15-8-12-4-3-6-22-14(12)9-16(15)28-2;1-13-2-3-18(25-6-4-14(9-21)5-7-25)17(8-13)24-20(28)16-11-23-26-12-15(27)10-22-19(16)26;14-11(17)6-7-15-12(18)10-8-19-13(16-10)9-4-2-1-3-5-9;/h5,7,14-16H,1-4,6,8-13H2,(H,26,33)(H,27,32);3-4,6,8-11H,5,7,21H2,1-2H3,(H,24,27);2-3,8,10-12,14,27H,4-7,9,21H2,1H3,(H,24,28);1-5,8H,6-7H2,(H2,14,17)(H,15,18);1H4
InChIKeyKIYYPWDWHORHAS-UHFFFAOYSA-N
MW1575.92 g/mol
LogP9.56
Rot. Bonds18

About 2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione

2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione (PubChem CID 159148425) has the molecular formula C78H90N22O9S3 and a molecular weight of 1575.92 g/mol. Its IUPAC name is 2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione.

Molecular Properties

Compound Name2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione
PubChem CID159148425
Molecular FormulaC78H90N22O9S3
Molecular Weight1575.92 g/mol
Exact Mass1574.64
IUPAC Name2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione
SMILESC.COc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)CCN)nc12.Cc1ccc(N2CCC(CN)CC2)c(NC(=O)c2cnn3cc(O)cnc23)c1.NC(=O)CCNC(=O)c1csc(-c2ccccc2)n1.O=C1Nc2cn(CCN3CCOCC3)nc2C(=O)NCCCCCc2cc(ccn2)-c2nc1cs2
InChIInChI=1S/C24H29N7O3S.C20H20N6O2S.C20H24N6O2.C13H13N3O2S.CH4/c32-22-20-16-35-24(28-20)17-5-7-25-18(14-17)4-2-1-3-6-26-23(33)21-19(27-22)15-31(29-21)9-8-30-10-12-34-13-11-30;1-26(7-5-21)20-23-10-17-18(25-20)13(11-29-17)19(27)24-15-8-12-4-3-6-22-14(12)9-16(15)28-2;1-13-2-3-18(25-6-4-14(9-21)5-7-25)17(8-13)24-20(28)16-11-23-26-12-15(27)10-22-19(16)26;14-11(17)6-7-15-12(18)10-8-19-13(16-10)9-4-2-1-3-5-9;/h5,7,14-16H,1-4,6,8-13H2,(H,26,33)(H,27,32);3-4,6,8-11H,5,7,21H2,1-2H3,(H,24,27);2-3,8,10-12,14,27H,4-7,9,21H2,1H3,(H,24,28);1-5,8H,6-7H2,(H2,14,17)(H,15,18);1H4
InChIKeyKIYYPWDWHORHAS-UHFFFAOYSA-N
XLogP9.56
TPSA414.39 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds18
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001575.92
LogP ≤ 59.56
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Analyze 2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione with MolForge

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Launch Full Analysis

Related Compounds

2-fluoro-4-[8-fluoro-3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylbenzamide;N-[[8-fluoro-6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[8-fluoro-6-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-methylthiophene-2-carboxamide;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1,3-thiazole-2-carboxamide
CID 157082490
1,2-dimethylbenzimidazole;2,4-dimethyl-1,3-benzoxazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,7-dimethyl-1,3-benzoxazole;ethylbenzene;5-ethyl-2-methyltetrazole;2-ethyl-[1,3]oxazolo[4,5-c]pyridine;2-ethyl-[1,3]oxazolo[5,4-c]pyridine;3-ethylpyridazine;2-ethylpyridine;2-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methyl-[1,3]oxazolo[5,4-b]pyridine;6-methyl-[1,3]oxazolo[4,5-c]pyridazine;2-methylpyrazine;2-methylpyrimidine;4-methylpyrimidine
CID 157203568
4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrole;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157246208
4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-3,1-benzoxazin-4-one;2-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-4-ium;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);6-propan-2-ylimidazo[2,1-b][1,3]thiazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-[1,3]oxazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;2-propan-2-ylquinoxaline;4-propan-2-yl-1,3-thiazole;2-propan-2-yl-[1,3]thiazolo[4,5-b]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-yl-[1,3]thiazolo[4,5-c]pyridine;2-propan-2-yl-[1,3]thiazolo[5,4-c]pyridine
CID 157260686
1,3-benzothiazole;1,3-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[d]pyrimidine;furo[3,2-b]pyridine;furo[3,2-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[1,2-b]pyridazine;imidazo[1,2-c]pyrimidine;3H-indole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;thieno[3,2-b]pyridine;thieno[3,2-d]pyrimidine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 157301762
6-bromo-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;3-N,3-N-dimethyl-1-N-[3-(3-methylimidazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;2-methyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinolin-6-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-6-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]quinoxalin-6-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-thiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 157318452
2,4-di(propan-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine;2,4-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;2,4-di(propan-2-yl)furo[3,2-d]pyrimidine;2,6-di(propan-2-yl)-7H-purine;2,4-di(propan-2-yl)pyrrolo[2,1-f][1,2,4]triazine;2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,4-di(propan-2-yl)thieno[2,3-d]pyrimidine;2,4-di(propan-2-yl)thieno[3,2-d]pyrimidine
CID 157333096
2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenol;N-[2-fluoro-4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]acetamide;7-methoxy-N-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,5-naphthyridin-4-amine;[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]imidazo[1,2-b]pyridazin-6-yl]thiophen-2-yl]-morpholin-4-ylmethanone
CID 157337003
1,3-benzothiazole;1,3-benzoxazole;6,7-dihydro-5H-cyclopenta[b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;ethane;furo[2,3-d]pyrimidine;1H-indene;3H-indole;3H-pyrazolo[4,3-b]pyridine;pyridine;quinoline;1,2,4-thiadiazole;thieno[3,2-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 157339264
3-[3-(furan-2-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-7-methyl-3,4-dihydro-1H-quinolin-2-one;3-[3-(furan-2-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-7-methoxy-1H-quinolin-2-one;7-methoxy-3-[6-methyl-3-(thiophen-2-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-oxazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one;7-methyl-3-[6-methyl-3-(1,3-thiazol-5-ylamino)imidazo[1,2-a]pyridin-2-yl]-3,4-dihydro-1H-quinolin-2-one
CID 157341431
2-N-(4-tert-butyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-N-(1H-indazol-5-yl)thieno[3,2-d]pyrimidine-2,4-diamine;N-(1H-indazol-5-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]thieno[3,2-d]pyrimidin-4-amine;4-N-(1H-indazol-5-yl)-2-N-[3-(1,3-oxazol-5-yl)phenyl]thieno[3,2-d]pyrimidine-2,4-diamine;4-N-(1H-indazol-5-yl)-2-N-(4-piperidin-1-ylphenyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 157548490
N-[[8-fluoro-6-(2-methyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;N-[[8-fluoro-6-(3,4,5-trifluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-methyl-1,2-oxazole;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-4-methyl-1,3-thiazole;2-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-5-methyl-1,3-thiazole
CID 157578913

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione?
The IUPAC name of 2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione (CID 159148425) is 2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione.
What is the SMILES notation for 2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione?
The canonical SMILES for 2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione is C.COc1cc2ncccc2cc1NC(=O)c1csc2cnc(N(C)CCN)nc12.Cc1ccc(N2CCC(CN)CC2)c(NC(=O)c2cnn3cc(O)cnc23)c1.NC(=O)CCNC(=O)c1csc(-c2ccccc2)n1.O=C1Nc2cn(CCN3CCOCC3)nc2C(=O)NCCCCCc2cc(ccn2)-c2nc1cs2.
What is the InChIKey of 2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione?
The InChIKey is KIYYPWDWHORHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3S.C20H20N6O2S.C20H24N6O2.C13H13N3O2S.CH4/c32-22-20-16-35-24(28-20)17-5-7-25-18(14-17)4-2-1-3-6-26-23(33)21-19(27-22)15-31(29-21)9-8-30-10-12-34-13-11-30;1-26(7-5-21)20-23-10-17-18(25-20)13(11-29-17)19(27)24-15-8-12-4-3-6-22-14(12)9-16(15)28-2;1-13-2-3-18(25-6-4-14(9-21)5-7-25)17(8-13)24-20(28)16-11-23-26-12-15(27)10-22-19(16)26;14-11(17)6-7-15-12(18)10-8-19-13(16-10)9-4-2-1-3-5-9;/h5,7,14-16H,1-4,6,8-13H2,(H,26,33)(H,27,32);3-4,6,8-11H,5,7,21H2,1-2H3,(H,24,27);2-3,8,10-12,14,27H,4-7,9,21H2,1H3,(H,24,28);1-5,8H,6-7H2,(H2,14,17)(H,15,18);1H4.
What are the key properties of 2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione?
2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione has a molecular weight of 1575.92 g/mol, XLogP of 9.56, 18 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(methyl)amino]-N-(7-methoxyquinolin-6-yl)thieno[3,2-d]pyrimidine-7-carboxamide;N-[2-[4-(aminomethyl)piperidin-1-yl]-5-methylphenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(3-amino-3-oxopropyl)-2-phenyl-1,3-thiazole-4-carboxamide;methane;10-(2-morpholin-4-ylethyl)-3-thia-7,10,11,14,21,25-hexazatetracyclo[18.3.1.12,5.08,12]pentacosa-1(24),2(25),4,8,11,20,22-heptaene-6,13-dione is sourced from PubChem (CID 159148425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).