N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C19H21N7O2 — CID 155552433

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

N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155552433) has the molecular formula C19H21N7O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 155552433
• Molecular Formula: C19H21N7O2
• Molecular Weight: 379.42 g/mol
• Exact Mass: 379.18
• IUPAC Name: N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(C3CC3)c2=O)nn2c(C(=O)NC3CC3)cnc12
• InChI: InChI=1S/C19H21N7O2/c1-20-14-9-16(23-13-3-2-8-25(19(13)28)12-6-7-12)24-26-15(10-21-17(14)26)18(27)22-11-4-5-11/h2-3,8-12,20H,4-7H2,1H3,(H,22,27)(H,23,24)
• InChIKey: MKDDBILYVZEWJS-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 105.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.42
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	3
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-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 155552433) is N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

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

The canonical SMILES for N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(C3CC3)c2=O)nn2c(C(=O)NC3CC3)cnc12.

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

The InChIKey is MKDDBILYVZEWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O2/c1-20-14-9-16(23-13-3-2-8-25(19(13)28)12-6-7-12)24-26-15(10-21-17(14)26)18(27)22-11-4-5-11/h2-3,8-12,20H,4-7H2,1H3,(H,22,27)(H,23,24).

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

N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6-[(1-cyclopropyl-2-oxo-3-pyridinyl)amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155552433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).