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

C21H24FN7O2 — CID 139508280

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

6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 139508280) has the molecular formula C21H24FN7O2 and a molecular weight of 425.47 g/mol. Its IUPAC name is 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 139508280
• Molecular Formula: C21H24FN7O2
• Molecular Weight: 425.47 g/mol
• Exact Mass: 425.20
• IUPAC Name: 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: CC(C)Nc1cc(-c2cnc3cc(C#N)cnn23)ncc1C(=O)NC[C@H](F)C(C)(C)O
• InChI: InChI=1S/C21H24FN7O2/c1-12(2)28-15-6-16(17-10-25-19-5-13(7-23)8-27-29(17)19)24-9-14(15)20(30)26-11-18(22)21(3,4)31/h5-6,8-10,12,18,31H,11H2,1-4H3,(H,24,28)(H,26,30)/t18-/m0/s1
• InChIKey: IEBJIQFRGCQIQM-SFHVURJKSA-N
• XLogP: 2.32
• TPSA: 128.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.47
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 139508280) is 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

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

The canonical SMILES for 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CC(C)Nc1cc(-c2cnc3cc(C#N)cnn23)ncc1C(=O)NC[C@H](F)C(C)(C)O.

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

The InChIKey is IEBJIQFRGCQIQM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H24FN7O2/c1-12(2)28-15-6-16(17-10-25-19-5-13(7-23)8-27-29(17)19)24-9-14(15)20(30)26-11-18(22)21(3,4)31/h5-6,8-10,12,18,31H,11H2,1-4H3,(H,24,28)(H,26,30)/t18-/m0/s1.

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

6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 425.47 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-N-[(2S)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 139508280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).