N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

C17H19N7O3 — CID 134417195

About N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide

N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 134417195) has the molecular formula C17H19N7O3 and a molecular weight of 369.39 g/mol. Its IUPAC name is N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 134417195
• Molecular Formula: C17H19N7O3
• Molecular Weight: 369.39 g/mol
• Exact Mass: 369.15
• IUPAC Name: N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNC(=O)c1occc1Nc1cc(NC)c2ncc(C(=O)NC3CC3)n2n1
• InChI: InChI=1S/C17H19N7O3/c1-18-11-7-13(22-10-5-6-27-14(10)17(26)19-2)23-24-12(8-20-15(11)24)16(25)21-9-3-4-9/h5-9,18H,3-4H2,1-2H3,(H,19,26)(H,21,25)(H,22,23)
• InChIKey: NERKNNWQYKYXGB-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 125.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.39
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide (CID 134417195) is N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is CNC(=O)c1occc1Nc1cc(NC)c2ncc(C(=O)NC3CC3)n2n1.

What is the InChIKey of N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is NERKNNWQYKYXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O3/c1-18-11-7-13(22-10-5-6-27-14(10)17(26)19-2)23-24-12(8-20-15(11)24)16(25)21-9-3-4-9/h5-9,18H,3-4H2,1-2H3,(H,19,26)(H,21,25)(H,22,23).

What are the key properties of N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide?

N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 369.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-8-(methylamino)-6-[[2-(methylcarbamoyl)furan-3-yl]amino]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 134417195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).