8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide

C17H14N6O3 — CID 126617729

IUPAC8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc2c(c1)nc1nc(C(=O)Nc3ccc(=O)n(C)n3)ccn12
InChIInChI=1S/C17H14N6O3/c1-22-15(24)6-5-14(21-22)20-16(25)11-7-8-23-13-4-3-10(26-2)9-12(13)19-17(23)18-11/h3-9H,1-2H3,(H,20,21,25)
InChIKeyOOARGEUJIKERIW-UHFFFAOYSA-N
MW350.34 g/mol
LogP1.24
Rot. Bonds3

About 8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide

8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide (PubChem CID 126617729) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is 8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
PubChem CID126617729
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC Name8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide
SMILESCOc1ccc2c(c1)nc1nc(C(=O)Nc3ccc(=O)n(C)n3)ccn12
InChIInChI=1S/C17H14N6O3/c1-22-15(24)6-5-14(21-22)20-16(25)11-7-8-23-13-4-3-10(26-2)9-12(13)19-17(23)18-11/h3-9H,1-2H3,(H,20,21,25)
InChIKeyOOARGEUJIKERIW-UHFFFAOYSA-N
XLogP1.24
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The IUPAC name of 8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide (CID 126617729) is 8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide.
What is the SMILES notation for 8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The canonical SMILES for 8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide is COc1ccc2c(c1)nc1nc(C(=O)Nc3ccc(=O)n(C)n3)ccn12.
What is the InChIKey of 8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
The InChIKey is OOARGEUJIKERIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c1-22-15(24)6-5-14(21-22)20-16(25)11-7-8-23-13-4-3-10(26-2)9-12(13)19-17(23)18-11/h3-9H,1-2H3,(H,20,21,25).
What are the key properties of 8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide?
8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide has a molecular weight of 350.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(1-methyl-6-oxopyridazin-3-yl)pyrimido[1,2-a]benzimidazole-2-carboxamide is sourced from PubChem (CID 126617729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).