N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide

C131H143N39O18S6 — CID 157318677

IUPACN,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)cs1.CN1CCC(NC(=O)c2cc(Cc3nc(O[C@H]4CCOC4)c4c(ccn4-c4cnn(C)c4)n3)cs2)CC1.CNC(=O)c1cc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.CNC(=O)c1ccc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)s1.CNC(=O)c1csc(Cc2nc(OC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CNC(=O)c1csc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)n1
InChIInChI=1S/C26H31N7O3S.2C22H24N6O3S.C21H22N6O3S.2C20H21N7O3S/c1-31-7-3-18(4-8-31)28-25(34)22-11-17(16-37-22)12-23-29-21-5-9-33(19-13-27-32(2)14-19)24(21)26(30-23)36-20-6-10-35-15-20;1-26(2)22(29)18-8-14(13-32-18)9-19-24-17-4-6-28(15-10-23-27(3)11-15)20(17)21(25-19)31-16-5-7-30-12-16;1-23-21(29)14-9-17(32-13-14)10-19-25-18-3-6-28(15-11-24-27(2)12-15)20(18)22(26-19)31-16-4-7-30-8-5-16;1-22-20(28)17-4-3-15(31-17)9-18-24-16-5-7-27(13-10-23-26(2)11-13)19(16)21(25-18)30-14-6-8-29-12-14;1-21-19(28)16-7-14(31-25-16)8-17-23-15-3-5-27(12-9-22-26(2)10-12)18(15)20(24-17)30-13-4-6-29-11-13;1-21-19(28)15-11-31-17(24-15)7-16-23-14-3-5-27(12-8-22-26(2)9-12)18(14)20(25-16)30-13-4-6-29-10-13/h5,9,11,13-14,16,18,20H,3-4,6-8,10,12,15H2,1-2H3,(H,28,34);4,6,8,10-11,13,16H,5,7,9,12H2,1-3H3;3,6,9,11-13,16H,4-5,7-8,10H2,1-2H3,(H,23,29);3-5,7,10-11,14H,6,8-9,12H2,1-2H3,(H,22,28);3,5,7,9-10,13H,4,6,8,11H2,1-2H3,(H,21,28);3,5,8-9,11,13H,4,6-7,10H2,1-2H3,(H,21,28)/t20-;16-;;14-;2*13-/m00.000/s1
InChIKeyBDXDSVYYTVCUBC-DJSLDEMOSA-N
MW2744.24 g/mol
LogP13.99
Rot. Bonds37

About N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide

N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide (PubChem CID 157318677) has the molecular formula C131H143N39O18S6 and a molecular weight of 2744.24 g/mol. Its IUPAC name is N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide
PubChem CID157318677
Molecular FormulaC131H143N39O18S6
Molecular Weight2744.24 g/mol
Exact Mass2741.98
IUPAC NameN,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide
SMILESCN(C)C(=O)c1cc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)cs1.CN1CCC(NC(=O)c2cc(Cc3nc(O[C@H]4CCOC4)c4c(ccn4-c4cnn(C)c4)n3)cs2)CC1.CNC(=O)c1cc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.CNC(=O)c1ccc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)s1.CNC(=O)c1csc(Cc2nc(OC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CNC(=O)c1csc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)n1
InChIInChI=1S/C26H31N7O3S.2C22H24N6O3S.C21H22N6O3S.2C20H21N7O3S/c1-31-7-3-18(4-8-31)28-25(34)22-11-17(16-37-22)12-23-29-21-5-9-33(19-13-27-32(2)14-19)24(21)26(30-23)36-20-6-10-35-15-20;1-26(2)22(29)18-8-14(13-32-18)9-19-24-17-4-6-28(15-10-23-27(3)11-15)20(17)21(25-19)31-16-5-7-30-12-16;1-23-21(29)14-9-17(32-13-14)10-19-25-18-3-6-28(15-11-24-27(2)12-15)20(18)22(26-19)31-16-4-7-30-8-5-16;1-22-20(28)17-4-3-15(31-17)9-18-24-16-5-7-27(13-10-23-26(2)11-13)19(16)21(25-18)30-14-6-8-29-12-14;1-21-19(28)16-7-14(31-25-16)8-17-23-15-3-5-27(12-9-22-26(2)10-12)18(15)20(24-17)30-13-4-6-29-11-13;1-21-19(28)15-11-31-17(24-15)7-16-23-14-3-5-27(12-8-22-26(2)9-12)18(14)20(25-16)30-13-4-6-29-10-13/h5,9,11,13-14,16,18,20H,3-4,6-8,10,12,15H2,1-2H3,(H,28,34);4,6,8,10-11,13,16H,5,7,9,12H2,1-3H3;3,6,9,11-13,16H,4-5,7-8,10H2,1-2H3,(H,23,29);3-5,7,10-11,14H,6,8-9,12H2,1-2H3,(H,22,28);3,5,7,9-10,13H,4,6,8,11H2,1-2H3,(H,21,28);3,5,8-9,11,13H,4,6-7,10H2,1-2H3,(H,21,28)/t20-;16-;;14-;2*13-/m00.000/s1
InChIKeyBDXDSVYYTVCUBC-DJSLDEMOSA-N
XLogP13.99
TPSA596.77 Ų
H-Bond Donors5
H-Bond Acceptors57
Rotatable Bonds37
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002744.24
LogP ≤ 513.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1057

Analyze N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide
CID 154827170
5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-piperidin-4-ylthiophene-3-carboxamide
CID 154827174
5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-(oxolan-3-yl)thiophene-3-carboxamide
CID 154827175
5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-(oxan-4-yl)thiophene-3-carboxamide
CID 154827176
N-(2-fluoroethyl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide
CID 157237926
1-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
2-ethyl-N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;1-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;4-methyl-5-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;5-methyl-7-(propan-2-ylamino)pyrido[2,3-b]pyrazin-6-one;6-methyl-N-propan-2-ylthieno[2,3-c]pyridazin-3-amine;4-methyl-N-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-amine;5-methylsulfanyl-4-phenyl-N-propan-2-yl-1,2,4-triazol-3-amine;2-(propan-2-ylamino)-4H-pyrido[2,3-b]pyrazin-3-one;7-(propan-2-ylamino)-5H-pyrido[3,2-d]pyrimidin-6-one;7-(propan-2-ylamino)-2-(trifluoromethyl)-5H-pyrido[3,2-d]pyrimidin-6-one;N-propan-2-yl-1,2,3-benzothiadiazol-6-amine;N-propan-2-ylthiadiazolo[4,5-b]pyridin-6-amine;N-propan-2-yl-[1,3]thiazolo[4,5-b]pyridin-6-amine;N-propan-2-ylthieno[3,2-c]pyridazin-3-amine;N-propan-2-yl-6-(trifluoromethyl)furo[3,2-c]pyridazin-3-amine
CID 158077376
1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-3-(2-methylpropyl)pyridin-2-one;bis(2-cyclopropyloxy-5-methyl-N-propan-2-ylpyridin-3-amine);2-(1,1-difluoroethyl)-N-propan-2-ylpyridin-3-amine;1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-5-methyl-3-(2-methylpropyl)pyridine;2-methoxy-5-methyl-N-propan-2-ylpyridin-3-amine;5-methyl-1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridine;6-methyl-4-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one;bis(5-methyl-N-propan-2-yl-2-propan-2-yloxypyridin-3-amine);3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyridin-2-one
CID 158492333
CID 158736564
CID 158736564
1-(1-cyclopropyl-5-methylpyrazol-4-yl)-5-methyl-3-(2-methylpropyl)pyridin-2-one;bis(2-cyclopropyloxy-5-methyl-N-propan-2-ylpyridin-3-amine);2-(1,1-difluoroethyl)-N-propan-2-ylpyridin-3-amine;1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-5-methyl-3-(2-methylpropyl)pyridine;5-methyl-1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridine;6-methyl-4-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one;bis(5-methyl-N-propan-2-yl-2-propan-2-yloxypyridin-3-amine);3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyridin-2-one
CID 158807725
N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 159268724
bis(2-cyclopropyloxy-5-methyl-N-propan-2-ylpyridin-3-amine);2-(1,1-difluoroethyl)-N-propan-2-ylpyridin-3-amine;1-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-methylpropyl)pyridin-2-one;2-(2-methoxyethoxy)-5-methyl-3-(2-methylpropyl)pyridine;2-methoxy-5-methyl-N-propan-2-ylpyridin-3-amine;5-methyl-1,3-di(propan-2-yl)pyrrolo[2,3-b]pyridine;6-methyl-4-(2-methylpropyl)-2-(1-methylpyrazol-4-yl)pyridazin-3-one;5-methyl-3-(2-methylpropyl)-1-(1-methylpyrazol-3-yl)pyridin-2-one;5-methyl-3-(2-methylpropyl)-1-(1-methylpyrazol-4-yl)pyridin-2-one;bis(5-methyl-N-propan-2-yl-2-propan-2-yloxypyridin-3-amine);3-(2-methylpropyl)-1-(2-methyl-3-pyridinyl)pyridin-2-one;3-(2-methylpropyl)-1-(1,4,5-trimethylpyrazol-3-yl)pyridin-2-one
CID 160723225

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide (CID 157318677) is N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide is CN(C)C(=O)c1cc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)cs1.CN1CCC(NC(=O)c2cc(Cc3nc(O[C@H]4CCOC4)c4c(ccn4-c4cnn(C)c4)n3)cs2)CC1.CNC(=O)c1cc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.CNC(=O)c1ccc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)s1.CNC(=O)c1csc(Cc2nc(OC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CNC(=O)c1csc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)n1.
What is the InChIKey of N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide?
The InChIKey is BDXDSVYYTVCUBC-DJSLDEMOSA-N. The full InChI is InChI=1S/C26H31N7O3S.2C22H24N6O3S.C21H22N6O3S.2C20H21N7O3S/c1-31-7-3-18(4-8-31)28-25(34)22-11-17(16-37-22)12-23-29-21-5-9-33(19-13-27-32(2)14-19)24(21)26(30-23)36-20-6-10-35-15-20;1-26(2)22(29)18-8-14(13-32-18)9-19-24-17-4-6-28(15-10-23-27(3)11-15)20(17)21(25-19)31-16-5-7-30-12-16;1-23-21(29)14-9-17(32-13-14)10-19-25-18-3-6-28(15-11-24-27(2)12-15)20(18)22(26-19)31-16-4-7-30-8-5-16;1-22-20(28)17-4-3-15(31-17)9-18-24-16-5-7-27(13-10-23-26(2)11-13)19(16)21(25-18)30-14-6-8-29-12-14;1-21-19(28)16-7-14(31-25-16)8-17-23-15-3-5-27(12-9-22-26(2)10-12)18(15)20(24-17)30-13-4-6-29-11-13;1-21-19(28)15-11-31-17(24-15)7-16-23-14-3-5-27(12-8-22-26(2)9-12)18(14)20(25-16)30-13-4-6-29-10-13/h5,9,11,13-14,16,18,20H,3-4,6-8,10,12,15H2,1-2H3,(H,28,34);4,6,8,10-11,13,16H,5,7,9,12H2,1-3H3;3,6,9,11-13,16H,4-5,7-8,10H2,1-2H3,(H,23,29);3-5,7,10-11,14H,6,8-9,12H2,1-2H3,(H,22,28);3,5,7,9-10,13H,4,6,8,11H2,1-2H3,(H,21,28);3,5,8-9,11,13H,4,6-7,10H2,1-2H3,(H,21,28)/t20-;16-;;14-;2*13-/m00.000/s1.
What are the key properties of N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide?
N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide has a molecular weight of 2744.24 g/mol, XLogP of 13.99, 37 rotatable bonds, 5 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-2-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,3-thiazole-4-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-1,2-thiazole-3-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-(1-methylpiperidin-4-yl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 157318677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).