N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C18H17N5O2 — CID 90556814

About N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 90556814) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
• PubChem CID: 90556814
• Molecular Formula: C18H17N5O2
• Molecular Weight: 335.37 g/mol
• Exact Mass: 335.14
• IUPAC Name: N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
• SMILES: Cn1nc(C(=O)Nc2cccc(-c3cnc4n3CCC4)c2)ccc1=O
• InChI: InChI=1S/C18H17N5O2/c1-22-17(24)8-7-14(21-22)18(25)20-13-5-2-4-12(10-13)15-11-19-16-6-3-9-23(15)16/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,25)
• InChIKey: BSXRLTXFKAQDNK-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 81.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.37
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?

The IUPAC name of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 90556814) is N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

What is the SMILES notation for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?

The canonical SMILES for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2cccc(-c3cnc4n3CCC4)c2)ccc1=O.

What is the InChIKey of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?

The InChIKey is BSXRLTXFKAQDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-22-17(24)8-7-14(21-22)18(25)20-13-5-2-4-12(10-13)15-11-19-16-6-3-9-23(15)16/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,25).

What are the key properties of N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?

N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 90556814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).