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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide

C112H120N42O15S5 — CID 159288729

IUPAC5-[[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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide
SMILESCC(=O)Nc1cc2cc(C)n(C(=O)c3cncc(Nc4s[nH]c(=O)c4/C(N)=N/C(C)CO)c3)c2cn1.Cc1cc2c(c(C)n1)N(C(=O)c1nccc(Nc3s[nH]c(=O)c3/C(N)=N/CCC3CCCO3)n1)CC2.Cc1cc2c(cn1)N(C(=O)c1cncc(Nc3s[nH]c(=O)c3/C(N)=N/C(C)CO)c1)CC2.N/C(=N\CCC1CCCN1)c1c(Nc2ccnc(C(=O)n3ccc4ccncc43)n2)s[nH]c1=O.N/C(=N\CCN1CCCC1=O)c1c(Nc2cncc(C(=O)n3ccc4nc(N)ncc43)c2)s[nH]c1=O
InChIInChI=1S/C24H28N8O3S.C23H24N8O4S.C22H22N10O3S.C22H23N9O2S.C21H23N7O3S/c1-13-12-15-7-10-32(19(15)14(2)28-13)24(34)21-27-9-6-17(29-21)30-23-18(22(33)31-36-23)20(25)26-8-5-16-4-3-11-35-16;1-11(10-32)27-20(24)19-21(34)30-36-22(19)29-16-5-15(7-25-8-16)23(35)31-12(2)4-14-6-18(28-13(3)33)26-9-17(14)31;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;23-18(26-9-4-14-2-1-7-25-14)17-20(32)30-34-21(17)29-16-5-10-27-19(28-16)22(33)31-11-6-13-3-8-24-12-15(13)31;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/h6,9,12,16H,3-5,7-8,10-11H2,1-2H3,(H2,25,26)(H,31,33)(H,27,29,30);4-9,11,29,32H,10H2,1-3H3,(H2,24,27)(H,30,34)(H,26,28,33);3,6,8-11,28H,1-2,4-5,7H2,(H2,23,26)(H,30,34)(H2,24,27,29);3,5-6,8,10-12,14,25H,1-2,4,7,9H2,(H2,23,26)(H,30,32)(H,27,28,29);5-9,12,26,29H,3-4,10H2,1-2H3,(H2,22,25)(H,27,30)
InChIKeyKZVMICBTCIWGTK-UHFFFAOYSA-N
MW2454.81 g/mol
LogP8.77
Rot. Bonds34

About 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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide (PubChem CID 159288729) has the molecular formula C112H120N42O15S5 and a molecular weight of 2454.81 g/mol. Its IUPAC name is 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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide.

Molecular Properties

Compound Name5-[[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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide
PubChem CID159288729
Molecular FormulaC112H120N42O15S5
Molecular Weight2454.81 g/mol
Exact Mass2452.85
IUPAC Name5-[[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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide
SMILESCC(=O)Nc1cc2cc(C)n(C(=O)c3cncc(Nc4s[nH]c(=O)c4/C(N)=N/C(C)CO)c3)c2cn1.Cc1cc2c(c(C)n1)N(C(=O)c1nccc(Nc3s[nH]c(=O)c3/C(N)=N/CCC3CCCO3)n1)CC2.Cc1cc2c(cn1)N(C(=O)c1cncc(Nc3s[nH]c(=O)c3/C(N)=N/C(C)CO)c1)CC2.N/C(=N\CCC1CCCN1)c1c(Nc2ccnc(C(=O)n3ccc4ccncc43)n2)s[nH]c1=O.N/C(=N\CCN1CCCC1=O)c1c(Nc2cncc(C(=O)n3ccc4nc(N)ncc43)c2)s[nH]c1=O
InChIInChI=1S/C24H28N8O3S.C23H24N8O4S.C22H22N10O3S.C22H23N9O2S.C21H23N7O3S/c1-13-12-15-7-10-32(19(15)14(2)28-13)24(34)21-27-9-6-17(29-21)30-23-18(22(33)31-36-23)20(25)26-8-5-16-4-3-11-35-16;1-11(10-32)27-20(24)19-21(34)30-36-22(19)29-16-5-15(7-25-8-16)23(35)31-12(2)4-14-6-18(28-13(3)33)26-9-17(14)31;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;23-18(26-9-4-14-2-1-7-25-14)17-20(32)30-34-21(17)29-16-5-10-27-19(28-16)22(33)31-11-6-13-3-8-24-12-15(13)31;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/h6,9,12,16H,3-5,7-8,10-11H2,1-2H3,(H2,25,26)(H,31,33)(H,27,29,30);4-9,11,29,32H,10H2,1-3H3,(H2,24,27)(H,30,34)(H,26,28,33);3,6,8-11,28H,1-2,4-5,7H2,(H2,23,26)(H,30,34)(H2,24,27,29);3,5-6,8,10-12,14,25H,1-2,4,7,9H2,(H2,23,26)(H,30,32)(H,27,28,29);5-9,12,26,29H,3-4,10H2,1-2H3,(H2,22,25)(H,27,30)
InChIKeyKZVMICBTCIWGTK-UHFFFAOYSA-N
XLogP8.77
TPSA827.69 Ų
H-Bond Donors20
H-Bond Acceptors48
Rotatable Bonds34
Heavy Atoms174
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002454.81
LogP ≤ 58.77
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1048

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]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,2-thiazole-4-carboximidamide;5-[[2-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide?
The IUPAC name of 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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide (CID 159288729) is 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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide.
What is the SMILES notation for 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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide?
The canonical SMILES for 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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide is CC(=O)Nc1cc2cc(C)n(C(=O)c3cncc(Nc4s[nH]c(=O)c4/C(N)=N/C(C)CO)c3)c2cn1.Cc1cc2c(c(C)n1)N(C(=O)c1nccc(Nc3s[nH]c(=O)c3/C(N)=N/CCC3CCCO3)n1)CC2.Cc1cc2c(cn1)N(C(=O)c1cncc(Nc3s[nH]c(=O)c3/C(N)=N/C(C)CO)c1)CC2.N/C(=N\CCC1CCCN1)c1c(Nc2ccnc(C(=O)n3ccc4ccncc43)n2)s[nH]c1=O.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]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,2-thiazole-4-carboximidamide;5-[[2-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide?
The InChIKey is KZVMICBTCIWGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O3S.C23H24N8O4S.C22H22N10O3S.C22H23N9O2S.C21H23N7O3S/c1-13-12-15-7-10-32(19(15)14(2)28-13)24(34)21-27-9-6-17(29-21)30-23-18(22(33)31-36-23)20(25)26-8-5-16-4-3-11-35-16;1-11(10-32)27-20(24)19-21(34)30-36-22(19)29-16-5-15(7-25-8-16)23(35)31-12(2)4-14-6-18(28-13(3)33)26-9-17(14)31;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;23-18(26-9-4-14-2-1-7-25-14)17-20(32)30-34-21(17)29-16-5-10-27-19(28-16)22(33)31-11-6-13-3-8-24-12-15(13)31;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/h6,9,12,16H,3-5,7-8,10-11H2,1-2H3,(H2,25,26)(H,31,33)(H,27,29,30);4-9,11,29,32H,10H2,1-3H3,(H2,24,27)(H,30,34)(H,26,28,33);3,6,8-11,28H,1-2,4-5,7H2,(H2,23,26)(H,30,34)(H2,24,27,29);3,5-6,8,10-12,14,25H,1-2,4,7,9H2,(H2,23,26)(H,30,32)(H,27,28,29);5-9,12,26,29H,3-4,10H2,1-2H3,(H2,22,25)(H,27,30).
What are the key properties of 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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-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-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide has a molecular weight of 2454.81 g/mol, XLogP of 8.77, 34 rotatable bonds, 20 hydrogen bond donors, and 48 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]-3-oxo-N'-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,2-thiazole-4-carboximidamide;5-[[2-(5,7-dimethyl-2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-3-oxo-N'-[2-(oxolan-2-yl)ethyl]-1,2-thiazole-4-carboximidamide;N-[1-[5-[[4-[N'-(1-hydroxypropan-2-yl)carbamimidoyl]-3-oxo-1,2-thiazol-5-yl]amino]pyridine-3-carbonyl]-2-methylpyrrolo[2,3-c]pyridin-5-yl]acetamide;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;3-oxo-N'-(2-pyrrolidin-2-ylethyl)-5-[[2-(pyrrolo[2,3-c]pyridine-1-carbonyl)pyrimidin-4-yl]amino]-1,2-thiazole-4-carboximidamide is sourced from PubChem (CID 159288729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).