5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide

C110H119N43O16S5 — CID 158947345

IUPAC5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide
SMILESCC(CCO)/N=C(\N)c1c(Nc2cncc(C(=O)n3ccc4nc(N)ncc43)c2)s[nH]c1=O.Cc1cc2c(cn1)N(C(=O)c1cncc(Nc3s[nH]c(=O)c3/C(N)=N/C(C)CO)c1)CC2.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.N/C(=N\CCN1CCCC1=O)c1c(Nc2cncc(C(=O)n3ccc4nc(N)ncc43)c2)s[nH]c1=O
InChIInChI=1S/C24H27N9O3S.C23H26N8O4S.C22H22N10O3S.C21H23N7O3S.C20H21N9O3S/c1-14-20-17(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;23-18(26-4-7-31-5-1-2-16(31)33)17-19(34)30-36-20(17)28-13-8-12(9-25-10-13)21(35)32-6-3-14-15(32)11-27-22(24)29-14;1-11-5-13-3-4-28(16(13)9-24-11)21(31)14-6-15(8-23-7-14)26-20-17(19(30)27-32-20)18(22)25-12(2)10-29;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/h3-5,7,13H,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);3,6,8-11,28H,1-2,4-5,7H2,(H2,23,26)(H,30,34)(H2,24,27,29);5-9,12,26,29H,3-4,10H2,1-2H3,(H2,22,25)(H,27,30);2,4,6-10,26,30H,3,5H2,1H3,(H2,21,25)(H,28,31)(H2,22,24,27)
InChIKeyJKZHLKNTBGTTPR-UHFFFAOYSA-N
MW2459.78 g/mol
LogP6.60
Rot. Bonds33

About 5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide

5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide (PubChem CID 158947345) has the molecular formula C110H119N43O16S5 and a molecular weight of 2459.78 g/mol. Its IUPAC name is 5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide.

Molecular Properties

Compound Name5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide
PubChem CID158947345
Molecular FormulaC110H119N43O16S5
Molecular Weight2459.78 g/mol
Exact Mass2457.84
IUPAC Name5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide
SMILESCC(CCO)/N=C(\N)c1c(Nc2cncc(C(=O)n3ccc4nc(N)ncc43)c2)s[nH]c1=O.Cc1cc2c(cn1)N(C(=O)c1cncc(Nc3s[nH]c(=O)c3/C(N)=N/C(C)CO)c1)CC2.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.N/C(=N\CCN1CCCC1=O)c1c(Nc2cncc(C(=O)n3ccc4nc(N)ncc43)c2)s[nH]c1=O
InChIInChI=1S/C24H27N9O3S.C23H26N8O4S.C22H22N10O3S.C21H23N7O3S.C20H21N9O3S/c1-14-20-17(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;23-18(26-4-7-31-5-1-2-16(31)33)17-19(34)30-36-20(17)28-13-8-12(9-25-10-13)21(35)32-6-3-14-15(32)11-27-22(24)29-14;1-11-5-13-3-4-28(16(13)9-24-11)21(31)14-6-15(8-23-7-14)26-20-17(19(30)27-32-20)18(22)25-12(2)10-29;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/h3-5,7,13H,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);3,6,8-11,28H,1-2,4-5,7H2,(H2,23,26)(H,30,34)(H2,24,27,29);5-9,12,26,29H,3-4,10H2,1-2H3,(H2,22,25)(H,27,30);2,4,6-10,26,30H,3,5H2,1H3,(H2,21,25)(H,28,31)(H2,22,24,27)
InChIKeyJKZHLKNTBGTTPR-UHFFFAOYSA-N
XLogP6.60
TPSA858.17 Ų
H-Bond Donors20
H-Bond Acceptors51
Rotatable Bonds33
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002459.78
LogP ≤ 56.60
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1051

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide?
The IUPAC name of 5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide (CID 158947345) is 5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide.
What is the SMILES notation for 5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide?
The canonical SMILES for 5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide is CC(CCO)/N=C(\N)c1c(Nc2cncc(C(=O)n3ccc4nc(N)ncc43)c2)s[nH]c1=O.Cc1cc2c(cn1)N(C(=O)c1cncc(Nc3s[nH]c(=O)c3/C(N)=N/C(C)CO)c1)CC2.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.N/C(=N\CCN1CCCC1=O)c1c(Nc2cncc(C(=O)n3ccc4nc(N)ncc43)c2)s[nH]c1=O.
What is the InChIKey of 5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide?
The InChIKey is JKZHLKNTBGTTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N9O3S.C23H26N8O4S.C22H22N10O3S.C21H23N7O3S.C20H21N9O3S/c1-14-20-17(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;23-18(26-4-7-31-5-1-2-16(31)33)17-19(34)30-36-20(17)28-13-8-12(9-25-10-13)21(35)32-6-3-14-15(32)11-27-22(24)29-14;1-11-5-13-3-4-28(16(13)9-24-11)21(31)14-6-15(8-23-7-14)26-20-17(19(30)27-32-20)18(22)25-12(2)10-29;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/h3-5,7,13H,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);3,6,8-11,28H,1-2,4-5,7H2,(H2,23,26)(H,30,34)(H2,24,27,29);5-9,12,26,29H,3-4,10H2,1-2H3,(H2,22,25)(H,27,30);2,4,6-10,26,30H,3,5H2,1H3,(H2,21,25)(H,28,31)(H2,22,24,27).
What are the key properties of 5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide?
5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide has a molecular weight of 2459.78 g/mol, XLogP of 6.60, 33 rotatable bonds, 20 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-N'-(4-hydroxybutan-2-yl)-3-oxo-1,2-thiazole-4-carboximidamide;5-[[5-(2-aminopyrrolo[3,2-d]pyrimidine-5-carbonyl)-3-pyridinyl]amino]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-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;N'-(1-hydroxypropan-2-yl)-5-[[5-(5-methyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)-3-pyridinyl]amino]-3-oxo-1,2-thiazole-4-carboximidamide is sourced from PubChem (CID 158947345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).