N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C25H27N7O3 — CID 155510753

About N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide

N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155510753) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 155510753
• Molecular Formula: C25H27N7O3
• Molecular Weight: 473.54 g/mol
• Exact Mass: 473.22
• IUPAC Name: N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: CNc1cc(Nc2cccn(-c3ccc(C(C)(C)O)cc3)c2=O)nn2c(C(=O)NC3CC3)cnc12
• InChI: InChI=1S/C25H27N7O3/c1-25(2,35)15-6-10-17(11-7-15)31-12-4-5-18(24(31)34)29-21-13-19(26-3)22-27-14-20(32(22)30-21)23(33)28-16-8-9-16/h4-7,10-14,16,26,35H,8-9H2,1-3H3,(H,28,33)(H,29,30)
• InChIKey: FKURSURYDXYTQC-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 125.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.54
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

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-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 155510753) is N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is CNc1cc(Nc2cccn(-c3ccc(C(C)(C)O)cc3)c2=O)nn2c(C(=O)NC3CC3)cnc12.

What is the InChIKey of N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is FKURSURYDXYTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-25(2,35)15-6-10-17(11-7-15)31-12-4-5-18(24(31)34)29-21-13-19(26-3)22-27-14-20(32(22)30-21)23(33)28-16-8-9-16/h4-7,10-14,16,26,35H,8-9H2,1-3H3,(H,28,33)(H,29,30).

What are the key properties of N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 2.79, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-6-[[1-[4-(2-hydroxypropan-2-yl)phenyl]-2-oxo-3-pyridinyl]amino]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155510753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).