About 5-[[5-(2-amino-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(5-chloro-6-methylpyrrolo[3,2-b]pyridine-1-carbonyl)-4-pyridinyl]amino]-N'-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(2,6-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide;5-[[2-(2,4-dimethylpyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(6-hydroxy-2,4-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-(oxolan-2-ylmethyl)-1,2-thiazole-4-carboximidamide
5-[[5-(2-amino-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(5-chloro-6-methylpyrrolo[3,2-b]pyridine-1-carbonyl)-4-pyridinyl]amino]-N'-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(2,6-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide;5-[[2-(2,4-dimethylpyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(6-hydroxy-2,4-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-(oxolan-2-ylmethyl)-1,2-thiazole-4-carboximidamide (PubChem CID 157394714) has the molecular formula C113H128ClN43O14S5
and a molecular weight of 2508.34 g/mol. Its IUPAC name is 5-[[5-(2-amino-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(5-chloro-6-methylpyrrolo[3,2-b]pyridine-1-carbonyl)-4-pyridinyl]amino]-N'-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(2,6-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide;5-[[2-(2,4-dimethylpyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(6-hydroxy-2,4-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-(oxolan-2-ylmethyl)-1,2-thiazole-4-carboximidamide.
Frequently Asked Questions
What is the IUPAC name of 5-[[5-(2-amino-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(5-chloro-6-methylpyrrolo[3,2-b]pyridine-1-carbonyl)-4-pyridinyl]amino]-N'-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(2,6-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide;5-[[2-(2,4-dimethylpyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(6-hydroxy-2,4-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-(oxolan-2-ylmethyl)-1,2-thiazole-4-carboximidamide?
The IUPAC name of 5-[[5-(2-amino-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(5-chloro-6-methylpyrrolo[3,2-b]pyridine-1-carbonyl)-4-pyridinyl]amino]-N'-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(2,6-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide;5-[[2-(2,4-dimethylpyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(6-hydroxy-2,4-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-(oxolan-2-ylmethyl)-1,2-thiazole-4-carboximidamide (CID 157394714) is 5-[[5-(2-amino-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(5-chloro-6-methylpyrrolo[3,2-b]pyridine-1-carbonyl)-4-pyridinyl]amino]-N'-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(2,6-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide;5-[[2-(2,4-dimethylpyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(6-hydroxy-2,4-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-(oxolan-2-ylmethyl)-1,2-thiazole-4-carboximidamide.
What is the SMILES notation for 5-[[5-(2-amino-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(5-chloro-6-methylpyrrolo[3,2-b]pyridine-1-carbonyl)-4-pyridinyl]amino]-N'-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(2,6-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide;5-[[2-(2,4-dimethylpyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(6-hydroxy-2,4-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-(oxolan-2-ylmethyl)-1,2-thiazole-4-carboximidamide?
The canonical SMILES for 5-[[5-(2-amino-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(5-chloro-6-methylpyrrolo[3,2-b]pyridine-1-carbonyl)-4-pyridinyl]amino]-N'-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(2,6-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide;5-[[2-(2,4-dimethylpyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(6-hydroxy-2,4-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-(oxolan-2-ylmethyl)-1,2-thiazole-4-carboximidamide is CC(CCO)/N=C(\N)c1c(Nc2cncc(C(=O)N3CCc4nc(N)ncc43)c2)s[nH]c1=O.Cc1cc2c(ccn2C(=O)c2cc(Nc3s[nH]c(=O)c3/C(N)=N/CCN3CCN(C)CC3)ccn2)nc1Cl.Cc1nc(C)c2c(ccn2C(=O)c2cc(Nc3s[nH]c(=O)c3/C(N)=N/CCN3CCOCC3)ccn2)n1.Cc1nc(C)c2c(n1)CC(O)N2C(=O)c1cc(Nc2s[nH]c(=O)c2/C(N)=N/CC2CCCO2)ccn1.Cc1ncc2c(n1)CC(C)N2C(=O)c1cc(Nc2s[nH]c(=O)c2/C(N)=N/C(C)C)ccn1.
What is the InChIKey of 5-[[5-(2-amino-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(5-chloro-6-methylpyrrolo[3,2-b]pyridine-1-carbonyl)-4-pyridinyl]amino]-N'-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(2,6-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide;5-[[2-(2,4-dimethylpyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(6-hydroxy-2,4-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-(oxolan-2-ylmethyl)-1,2-thiazole-4-carboximidamide?
The InChIKey is BMKUNRHXTHWNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN9O2S.C24H27N9O3S.C23H26N8O4S.C21H24N8O2S.C20H23N9O3S/c1-15-13-19-17(31-21(15)26)4-7-35(19)25(37)18-14-16(3-5-28-18)30-24-20(23(36)32-38-24)22(27)29-6-8-34-11-9-33(2)10-12-34;1-14-20-17(29-15(2)28-14)4-7-33(20)24(35)18-13-16(3-5-26-18)30-23-19(22(34)31-37-23)21(25)27-6-8-32-9-11-36-12-10-32;1-11-19-15(28-12(2)27-11)9-17(32)31(19)23(34)16-8-13(5-6-25-16)29-22-18(21(33)30-36-22)20(24)26-10-14-4-3-7-35-14;1-10(2)25-18(22)17-19(30)28-32-20(17)27-13-5-6-23-15(8-13)21(31)29-11(3)7-14-16(29)9-24-12(4)26-14;1-10(3-5-30)25-16(21)15-17(31)28-33-18(15)26-12-6-11(7-23-8-12)19(32)29-4-2-13-14(29)9-24-20(22)27-13/h3-5,7,13-14H,6,8-12H2,1-2H3,(H2,27,29)(H,28,30)(H,32,36);3-5,7,13H,6,8-12H2,1-2H3,(H2,25,27)(H,26,30)(H,31,34);5-6,8,14,17,32H,3-4,7,9-10H2,1-2H3,(H2,24,26)(H,25,29)(H,30,33);5-6,8-11H,7H2,1-4H3,(H2,22,25)(H,23,27)(H,28,30);6-10,26,30H,2-5H2,1H3,(H2,21,25)(H,28,31)(H2,22,24,27).
What are the key properties of 5-[[5-(2-amino-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(5-chloro-6-methylpyrrolo[3,2-b]pyridine-1-carbonyl)-4-pyridinyl]amino]-N'-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(2,6-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide;5-[[2-(2,4-dimethylpyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(6-hydroxy-2,4-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-(oxolan-2-ylmethyl)-1,2-thiazole-4-carboximidamide?
5-[[5-(2-amino-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(5-chloro-6-methylpyrrolo[3,2-b]pyridine-1-carbonyl)-4-pyridinyl]amino]-N'-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(2,6-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide;5-[[2-(2,4-dimethylpyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(6-hydroxy-2,4-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-(oxolan-2-ylmethyl)-1,2-thiazole-4-carboximidamide has a molecular weight of 2508.34 g/mol, XLogP of 8.58, 32 rotatable bonds, 18 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-amino-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(5-chloro-6-methylpyrrolo[3,2-b]pyridine-1-carbonyl)-4-pyridinyl]amino]-N'-[2-(4-methylpiperazin-1-yl)ethyl]-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(2,6-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-propan-2-yl-1,2-thiazole-4-carboximidamide;5-[[2-(2,4-dimethylpyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-N'-(2-morpholin-4-ylethyl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[2-(6-hydroxy-2,4-dimethyl-6,7-dihydropyrrolo[3,2-d]pyrimidine-5-carbonyl)-4-pyridinyl]amino]-3-oxo-N'-(oxolan-2-ylmethyl)-1,2-thiazole-4-carboximidamide is sourced from PubChem (CID 157394714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).