N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide

C21H27FN6O3 — CID 139508241

About N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide

N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 139508241) has the molecular formula C21H27FN6O3 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 139508241
• Molecular Formula: C21H27FN6O3
• Molecular Weight: 430.48 g/mol
• Exact Mass: 430.21
• IUPAC Name: N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: COc1cnn2c(-c3cc(NC(C)C)c(C(=O)NCC(F)C(C)(C)O)cn3)cnc2c1
• InChI: InChI=1S/C21H27FN6O3/c1-12(2)27-15-7-16(17-10-24-19-6-13(31-5)8-26-28(17)19)23-9-14(15)20(29)25-11-18(22)21(3,4)30/h6-10,12,18,30H,11H2,1-5H3,(H,23,27)(H,25,29)
• InChIKey: XIOKUVSXXWJWIN-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 113.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.48
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?

The IUPAC name of N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 139508241) is N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?

The canonical SMILES for N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide is COc1cnn2c(-c3cc(NC(C)C)c(C(=O)NCC(F)C(C)(C)O)cn3)cnc2c1.

What is the InChIKey of N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?

The InChIKey is XIOKUVSXXWJWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN6O3/c1-12(2)27-15-7-16(17-10-24-19-6-13(31-5)8-26-28(17)19)23-9-14(15)20(29)25-11-18(22)21(3,4)30/h6-10,12,18,30H,11H2,1-5H3,(H,23,27)(H,25,29).

What are the key properties of N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide?

N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 2.46, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(7-methoxyimidazo[1,2-b]pyridazin-3-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 139508241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).