6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide

C25H27FN10O2 — CID 68761747

About 6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide

6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 68761747) has the molecular formula C25H27FN10O2 and a molecular weight of 518.56 g/mol. Its IUPAC name is 6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• PubChem CID: 68761747
• Molecular Formula: C25H27FN10O2
• Molecular Weight: 518.56 g/mol
• Exact Mass: 518.23
• IUPAC Name: 6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide
• SMILES: NCC(=O)NC1CCC(Nc2cc(Nc3ccccn3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1
• InChI: InChI=1S/C25H27FN10O2/c26-17-13-28-10-8-18(17)34-25(38)20-14-30-24-19(33-21-3-1-2-9-29-21)11-22(35-36(20)24)31-15-4-6-16(7-5-15)32-23(37)12-27/h1-3,8-11,13-16H,4-7,12,27H2,(H,29,33)(H,31,35)(H,32,37)(H,28,34,38)
• InChIKey: FKQQWYDHSUZVIX-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 164.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.56
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The IUPAC name of 6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide (CID 68761747) is 6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The canonical SMILES for 6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide is NCC(=O)NC1CCC(Nc2cc(Nc3ccccn3)c3ncc(C(=O)Nc4ccncc4F)n3n2)CC1.

What is the InChIKey of 6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

The InChIKey is FKQQWYDHSUZVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN10O2/c26-17-13-28-10-8-18(17)34-25(38)20-14-30-24-19(33-21-3-1-2-9-29-21)11-22(35-36(20)24)31-15-4-6-16(7-5-15)32-23(37)12-27/h1-3,8-11,13-16H,4-7,12,27H2,(H,29,33)(H,31,35)(H,32,37)(H,28,34,38).

What are the key properties of 6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide?

6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 518.56 g/mol, XLogP of 2.45, 8 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[4-[(2-aminoacetyl)amino]cyclohexyl]amino]-N-(3-fluoro-4-pyridinyl)-8-(pyridin-2-ylamino)imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 68761747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).