2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide

C19H20N6O4S — CID 155396907

IUPAC2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide
SMILESCOc1cnc(-c2ncc(C(N)=O)s2)c2[nH]cc(C(=O)C(=O)N3CCN(C)CC3)c12
InChIInChI=1S/C19H20N6O4S/c1-24-3-5-25(6-4-24)19(28)16(26)10-7-21-14-13(10)11(29-2)8-22-15(14)18-23-9-12(30-18)17(20)27/h7-9,21H,3-6H2,1-2H3,(H2,20,27)
InChIKeyIUVKMXMXZNGALD-UHFFFAOYSA-N
MW428.47 g/mol
LogP0.75
Rot. Bonds5

About 2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide

2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide (PubChem CID 155396907) has the molecular formula C19H20N6O4S and a molecular weight of 428.47 g/mol. Its IUPAC name is 2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide
PubChem CID155396907
Molecular FormulaC19H20N6O4S
Molecular Weight428.47 g/mol
Exact Mass428.13
IUPAC Name2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide
SMILESCOc1cnc(-c2ncc(C(N)=O)s2)c2[nH]cc(C(=O)C(=O)N3CCN(C)CC3)c12
InChIInChI=1S/C19H20N6O4S/c1-24-3-5-25(6-4-24)19(28)16(26)10-7-21-14-13(10)11(29-2)8-22-15(14)18-23-9-12(30-18)17(20)27/h7-9,21H,3-6H2,1-2H3,(H2,20,27)
InChIKeyIUVKMXMXZNGALD-UHFFFAOYSA-N
XLogP0.75
TPSA134.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazol-5-yl]methyl]acetamide;ethane
CID 155742862
1-[4-methoxy-7-(6-oxo-1H-pyrazin-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-piperazin-1-ylethane-1,2-dione
CID 91011492
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(1,3-thiazol-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958756
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-7-pyridazin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)ethane-1,2-dione
CID 6321193
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(2-methoxy-4-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 58270141
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(4-methyl-5-oxopyrazin-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 15958728
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 68901084
1-(4,7-dimethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2E)-2-ethenylpenta-2,4-dienoyl]piperazin-1-yl]ethane-1,2-dione
CID 143573427
tert-butyl 4-[2-(7-chloro-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate
CID 59693943
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-(2H-1,3-thiazol-2-id-4-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;carbanide;molecular hydrogen;yttrium
CID 164540519
N-(4-butan-2-yloxy-2-methylbutan-2-yl)-2-[3-[2-[4-[cyano(phenyl)methyl]piperidin-1-yl]-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide
CID 164540521
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-N'-hydroxy-4-methoxy-1H-pyrrolo[2,3-c]pyridine-7-carboximidamide
CID 136626172

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide (CID 155396907) is 2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide is COc1cnc(-c2ncc(C(N)=O)s2)c2[nH]cc(C(=O)C(=O)N3CCN(C)CC3)c12.
What is the InChIKey of 2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is IUVKMXMXZNGALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4S/c1-24-3-5-25(6-4-24)19(28)16(26)10-7-21-14-13(10)11(29-2)8-22-15(14)18-23-9-12(30-18)17(20)27/h7-9,21H,3-6H2,1-2H3,(H2,20,27).
What are the key properties of 2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide?
2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-[2-(4-methylpiperazin-1-yl)-2-oxoacetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 155396907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).