5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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

C115H125N43O14S5 — CID 160971722

IUPAC5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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.Cc1cc2ccn(C(=O)c3nc(Nc4s[nH]c(=O)c4/C(N)=N/CCC4CCC(=O)N4)cnc3C)c2cn1.N/C(=N\CCC1CCCN1)c1c(Nc2ccnc(C(=O)n3ccc4ccncc43)n2)s[nH]c1=O.N/C(=N\CCC1CCCN1)c1c(Nc2cncc(C(=O)N3CCc4ccncc43)n2)s[nH]c1=O
InChIInChI=1S/C24H25N9O3S.C24H28N8O3S.C23H24N8O4S.C22H23N9O2S.C22H25N9O2S/c1-12-9-14-6-8-33(16(14)10-27-12)24(36)20-13(2)28-11-17(30-20)31-23-19(22(35)32-37-23)21(25)26-7-5-15-3-4-18(34)29-15;1-13-12-15-7-10-32(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(26-9-4-14-2-1-7-25-14)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;23-19(27-8-4-14-2-1-6-26-14)18-20(32)30-34-21(18)29-17-12-25-10-15(28-17)22(33)31-9-5-13-3-7-24-11-16(13)31/h6,8-11,15H,3-5,7H2,1-2H3,(H2,25,26)(H,29,34)(H,30,31)(H,32,35);6,9,12,16H,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);3,5-6,8,10-12,14,25H,1-2,4,7,9H2,(H2,23,26)(H,30,32)(H,27,28,29);3,7,10-12,14,26H,1-2,4-6,8-9H2,(H2,23,27)(H,28,29)(H,30,32)
InChIKeySYIPPLHVSDXCAF-UHFFFAOYSA-N
MW2493.89 g/mol
LogP9.70
Rot. Bonds35

About 5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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 160971722) has the molecular formula C115H125N43O14S5 and a molecular weight of 2493.89 g/mol. Its IUPAC name is 5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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 CID160971722
Molecular FormulaC115H125N43O14S5
Molecular Weight2493.89 g/mol
Exact Mass2491.90
IUPAC Name5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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.Cc1cc2ccn(C(=O)c3nc(Nc4s[nH]c(=O)c4/C(N)=N/CCC4CCC(=O)N4)cnc3C)c2cn1.N/C(=N\CCC1CCCN1)c1c(Nc2ccnc(C(=O)n3ccc4ccncc43)n2)s[nH]c1=O.N/C(=N\CCC1CCCN1)c1c(Nc2cncc(C(=O)N3CCc4ccncc43)n2)s[nH]c1=O
InChIInChI=1S/C24H25N9O3S.C24H28N8O3S.C23H24N8O4S.C22H23N9O2S.C22H25N9O2S/c1-12-9-14-6-8-33(16(14)10-27-12)24(36)20-13(2)28-11-17(30-20)31-23-19(22(35)32-37-23)21(25)26-7-5-15-3-4-18(34)29-15;1-13-12-15-7-10-32(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(26-9-4-14-2-1-7-25-14)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;23-19(27-8-4-14-2-1-6-26-14)18-20(32)30-34-21(18)29-17-12-25-10-15(28-17)22(33)31-9-5-13-3-7-24-11-16(13)31/h6,8-11,15H,3-5,7H2,1-2H3,(H2,25,26)(H,29,34)(H,30,31)(H,32,35);6,9,12,16H,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);3,5-6,8,10-12,14,25H,1-2,4,7,9H2,(H2,23,26)(H,30,32)(H,27,28,29);3,7,10-12,14,26H,1-2,4-6,8-9H2,(H2,23,27)(H,28,29)(H,30,32)
InChIKeySYIPPLHVSDXCAF-UHFFFAOYSA-N
XLogP9.70
TPSA815.15 Ų
H-Bond Donors20
H-Bond Acceptors48
Rotatable Bonds35
Heavy Atoms177
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002493.89
LogP ≤ 59.70
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-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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 160971722) is 5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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.Cc1cc2ccn(C(=O)c3nc(Nc4s[nH]c(=O)c4/C(N)=N/CCC4CCC(=O)N4)cnc3C)c2cn1.N/C(=N\CCC1CCCN1)c1c(Nc2ccnc(C(=O)n3ccc4ccncc43)n2)s[nH]c1=O.N/C(=N\CCC1CCCN1)c1c(Nc2cncc(C(=O)N3CCc4ccncc43)n2)s[nH]c1=O.
What is the InChIKey of 5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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 SYIPPLHVSDXCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N9O3S.C24H28N8O3S.C23H24N8O4S.C22H23N9O2S.C22H25N9O2S/c1-12-9-14-6-8-33(16(14)10-27-12)24(36)20-13(2)28-11-17(30-20)31-23-19(22(35)32-37-23)21(25)26-7-5-15-3-4-18(34)29-15;1-13-12-15-7-10-32(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(26-9-4-14-2-1-7-25-14)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;23-19(27-8-4-14-2-1-6-26-14)18-20(32)30-34-21(18)29-17-12-25-10-15(28-17)22(33)31-9-5-13-3-7-24-11-16(13)31/h6,8-11,15H,3-5,7H2,1-2H3,(H2,25,26)(H,29,34)(H,30,31)(H,32,35);6,9,12,16H,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);3,5-6,8,10-12,14,25H,1-2,4,7,9H2,(H2,23,26)(H,30,32)(H,27,28,29);3,7,10-12,14,26H,1-2,4-6,8-9H2,(H2,23,27)(H,28,29)(H,30,32).
What are the key properties of 5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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 2493.89 g/mol, XLogP of 9.70, 35 rotatable bonds, 20 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(2,3-dihydropyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-(2-pyrrolidin-2-ylethyl)-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;5-[[5-methyl-6-(5-methylpyrrolo[2,3-c]pyridine-1-carbonyl)pyrazin-2-yl]amino]-3-oxo-N'-[2-(5-oxopyrrolidin-2-yl)ethyl]-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 160971722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).