7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

C97H95F4N29O7S5 — CID 158829967

IUPAC7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCC1(C)CN(c2ncnc3sc(C(=O)NCCCN4CCCC4)nc23)c2ccccc21.O=C(NC1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NC1CCOC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NC1COC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NCCCn1cccn1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C23H28N6OS.C20H18FN7OS.C19H19FN6OS.C18H16FN5O2S.C17H14FN5O2S/c1-23(2)14-29(17-9-4-3-8-16(17)23)19-18-21(26-15-25-19)31-22(27-18)20(30)24-10-7-13-28-11-5-6-12-28;21-14-3-4-15-13(11-14)5-10-28(15)17-16-19(24-12-23-17)30-20(26-16)18(29)22-6-1-8-27-9-2-7-25-27;20-12-1-2-14-11(9-12)5-8-26(14)16-15-18(23-10-22-16)28-19(25-15)17(27)24-13-3-6-21-7-4-13;19-11-1-2-13-10(7-11)3-5-24(13)15-14-17(21-9-20-15)27-18(23-14)16(25)22-12-4-6-26-8-12;18-10-1-2-12-9(5-10)3-4-23(12)14-13-16(20-8-19-14)26-17(22-13)15(24)21-11-6-25-7-11/h3-4,8-9,15H,5-7,10-14H2,1-2H3,(H,24,30);2-4,7,9,11-12H,1,5-6,8,10H2,(H,22,29);1-2,9-10,13,21H,3-8H2,(H,24,27);1-2,7,9,12H,3-6,8H2,(H,22,25);1-2,5,8,11H,3-4,6-7H2,(H,21,24)
InChIKeyIWXORUVSISFOLN-UHFFFAOYSA-N
MW2015.35 g/mol
LogP13.56
Rot. Bonds21

About 7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide

7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (PubChem CID 158829967) has the molecular formula C97H95F4N29O7S5 and a molecular weight of 2015.35 g/mol. Its IUPAC name is 7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
PubChem CID158829967
Molecular FormulaC97H95F4N29O7S5
Molecular Weight2015.35 g/mol
Exact Mass2013.65
IUPAC Name7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
SMILESCC1(C)CN(c2ncnc3sc(C(=O)NCCCN4CCCC4)nc23)c2ccccc21.O=C(NC1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NC1CCOC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NC1COC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NCCCn1cccn1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1
InChIInChI=1S/C23H28N6OS.C20H18FN7OS.C19H19FN6OS.C18H16FN5O2S.C17H14FN5O2S/c1-23(2)14-29(17-9-4-3-8-16(17)23)19-18-21(26-15-25-19)31-22(27-18)20(30)24-10-7-13-28-11-5-6-12-28;21-14-3-4-15-13(11-14)5-10-28(15)17-16-19(24-12-23-17)30-20(26-16)18(29)22-6-1-8-27-9-2-7-25-27;20-12-1-2-14-11(9-12)5-8-26(14)16-15-18(23-10-22-16)28-19(25-15)17(27)24-13-3-6-21-7-4-13;19-11-1-2-13-10(7-11)3-5-24(13)15-14-17(21-9-20-15)27-18(23-14)16(25)22-12-4-6-26-8-12;18-10-1-2-12-9(5-10)3-4-23(12)14-13-16(20-8-19-14)26-17(22-13)15(24)21-11-6-25-7-11/h3-4,8-9,15H,5-7,10-14H2,1-2H3,(H,24,30);2-4,7,9,11-12H,1,5-6,8,10H2,(H,22,29);1-2,9-10,13,21H,3-8H2,(H,24,27);1-2,7,9,12H,3-6,8H2,(H,22,25);1-2,5,8,11H,3-4,6-7H2,(H,21,24)
InChIKeyIWXORUVSISFOLN-UHFFFAOYSA-N
XLogP13.56
TPSA406.60 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002015.35
LogP ≤ 513.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-2-(1-methylimidazol-4-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(2-methoxyethyl)-N-methyl-2-(1-methylimidazol-2-yl)-5,6-diphenylthieno[2,3-d]pyrimidin-4-amine;N-(1-methoxypropan-2-yl)-5,6-diphenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-(2-propan-2-yloxyethyl)thieno[2,3-d]pyrimidin-4-amine;2-(1-methylimidazol-2-yl)-5,6-diphenyl-N-[2-(trifluoromethoxy)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 157826901
7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-cyclopropyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methoxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3-methylbutyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-N-(3,3,3-trifluoropropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-chloro-2,3-dihydroindol-1-yl)-N-(piperidin-4-ylmethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 158692812
7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-morpholin-4-ylethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 159108997
N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 159155743
7-(3,3-dimethyl-2H-indol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(2-pyrrolidin-1-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(2-hydroxyethyl)-2,3-dihydroindol-1-yl]-N-methyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-(3-methyl-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-methyl-7-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 160186023
N-[4-[[(3R)-3-methoxypyrrolidin-1-yl]methyl]-2-pyridinyl]-5-(5-methyl-1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-(5-methyl-1H-pyrazol-4-yl)-N-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-2-pyridinyl]-5-pyridin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-amine;N-[4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-2-pyridinyl]-5-(1H-pyrazol-4-yl)-[1,3]thiazolo[5,4-b]pyridin-2-amine;5-pyridin-4-yl-N-[4-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 161552644
[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-morpholin-4-ylmethanone;[7-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-morpholin-4-ylmethanone;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-2-chloro-6-(cyclohexen-1-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-cyclohexyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;6-(cyclohexen-1-yl)-2-methyl-N-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 164974987
N-(2,3-difluorophenyl)formamide;N-(2,3-difluorophenyl)-2-[4-[6-methyl-8-[[2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetamide;ethane;3-(1-ethylpyrazol-4-yl)-6-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 143756373
8-butyl-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-(3-fluorophenyl)-8-methyl-3-[(1S)-1-[(2-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]isoquinolin-1-one;8-(2-methoxy-1,3-thiazol-5-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;8-(1-methylpyrazol-4-yl)-2-phenyl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one;2-phenyl-8-pyridin-2-yl-3-[(2R)-1-([1,3]thiazolo[4,5-c]pyridin-4-yl)propan-2-yl]isoquinolin-1-one
CID 157080238
N-butyl-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-[2-(dimethylamino)ethyl]-7-(5-fluoro-2,3-dihydroindol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-[3-(methylamino)propyl]-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 157253943
7-(2,3-dihydroindol-1-yl)-N-(2,3-dihydroxypropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(2,3-dihydroindol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluorospiro[2H-indole-3,1'-cyclopropane]-1-yl)-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-[3-(hydroxymethyl)-2,3-dihydroindol-1-yl]-N-(oxan-4-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;N-(oxan-4-yl)-7-spiro[2H-indole-3,4'-oxane]-1-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide
CID 157256134
5-[(1-benzylpiperidin-4-yl)methyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexen-1-ylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(cyclohexylmethyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methylpentyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(1-methylpyrazol-4-yl)-5-pentyl-1H-pyrrolo[2,3-b]pyridine;4-[4-[[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]cyclohexyl]morpholine;morpholin-4-yl-[4-(5-pentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]methanone
CID 157349625

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide (CID 158829967) is 7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is CC1(C)CN(c2ncnc3sc(C(=O)NCCCN4CCCC4)nc23)c2ccccc21.O=C(NC1CCNCC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NC1CCOC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NC1COC1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.O=C(NCCCn1cccn1)c1nc2c(N3CCc4cc(F)ccc43)ncnc2s1.
What is the InChIKey of 7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
The InChIKey is IWXORUVSISFOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6OS.C20H18FN7OS.C19H19FN6OS.C18H16FN5O2S.C17H14FN5O2S/c1-23(2)14-29(17-9-4-3-8-16(17)23)19-18-21(26-15-25-19)31-22(27-18)20(30)24-10-7-13-28-11-5-6-12-28;21-14-3-4-15-13(11-14)5-10-28(15)17-16-19(24-12-23-17)30-20(26-16)18(29)22-6-1-8-27-9-2-7-25-27;20-12-1-2-14-11(9-12)5-8-26(14)16-15-18(23-10-22-16)28-19(25-15)17(27)24-13-3-6-21-7-4-13;19-11-1-2-13-10(7-11)3-5-24(13)15-14-17(21-9-20-15)27-18(23-14)16(25)22-12-4-6-26-8-12;18-10-1-2-12-9(5-10)3-4-23(12)14-13-16(20-8-19-14)26-17(22-13)15(24)21-11-6-25-7-11/h3-4,8-9,15H,5-7,10-14H2,1-2H3,(H,24,30);2-4,7,9,11-12H,1,5-6,8,10H2,(H,22,29);1-2,9-10,13,21H,3-8H2,(H,24,27);1-2,7,9,12H,3-6,8H2,(H,22,25);1-2,5,8,11H,3-4,6-7H2,(H,21,24).
What are the key properties of 7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide?
7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide has a molecular weight of 2015.35 g/mol, XLogP of 13.56, 21 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,3-dimethyl-2H-indol-1-yl)-N-(3-pyrrolidin-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxetan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(oxolan-3-yl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-piperidin-4-yl-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide;7-(5-fluoro-2,3-dihydroindol-1-yl)-N-(3-pyrazol-1-ylpropyl)-[1,3]thiazolo[5,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 158829967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).