6-[6-[[1-(2-ethylcyclobutyl)-2-hydroxyethyl]amino]imidazo[1,2-b]pyridazin-3-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

C28H40FN7O3 — CID 146415779

About 6-[6-[[1-(2-ethylcyclobutyl)-2-hydroxyethyl]amino]imidazo[1,2-b]pyridazin-3-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide

6-[6-[[1-(2-ethylcyclobutyl)-2-hydroxyethyl]amino]imidazo[1,2-b]pyridazin-3-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 146415779) has the molecular formula C28H40FN7O3 and a molecular weight of 541.67 g/mol. Its IUPAC name is 6-[6-[[1-(2-ethylcyclobutyl)-2-hydroxyethyl]amino]imidazo[1,2-b]pyridazin-3-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[6-[[1-(2-ethylcyclobutyl)-2-hydroxyethyl]amino]imidazo[1,2-b]pyridazin-3-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• PubChem CID: 146415779
• Molecular Formula: C28H40FN7O3
• Molecular Weight: 541.67 g/mol
• Exact Mass: 541.32
• IUPAC Name: 6-[6-[[1-(2-ethylcyclobutyl)-2-hydroxyethyl]amino]imidazo[1,2-b]pyridazin-3-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide
• SMILES: CCC1CCC1C(CO)Nc1ccc2ncc(-c3cc(NC(C)C)c(C(=O)NC[C@@H](F)C(C)(C)O)cn3)n2n1
• InChI: InChI=1S/C28H40FN7O3/c1-6-17-7-8-18(17)22(15-37)34-25-9-10-26-31-13-23(36(26)35-25)21-11-20(33-16(2)3)19(12-30-21)27(38)32-14-24(29)28(4,5)39/h9-13,16-18,22,24,37,39H,6-8,14-15H2,1-5H3,(H,30,33)(H,32,38)(H,34,35)/t17?,18?,22?,24-/m1/s1
• InChIKey: YINSCTZMIUMXGE-ZKMVDGQWSA-N
• XLogP: 3.66
• TPSA: 136.70 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.67
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 6-[6-[[1-(2-ethylcyclobutyl)-2-hydroxyethyl]amino]imidazo[1,2-b]pyridazin-3-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide (CID 146415779) is 6-[6-[[1-(2-ethylcyclobutyl)-2-hydroxyethyl]amino]imidazo[1,2-b]pyridazin-3-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide.

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

The canonical SMILES for 6-[6-[[1-(2-ethylcyclobutyl)-2-hydroxyethyl]amino]imidazo[1,2-b]pyridazin-3-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is CCC1CCC1C(CO)Nc1ccc2ncc(-c3cc(NC(C)C)c(C(=O)NC[C@@H](F)C(C)(C)O)cn3)n2n1.

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

The InChIKey is YINSCTZMIUMXGE-ZKMVDGQWSA-N. The full InChI is InChI=1S/C28H40FN7O3/c1-6-17-7-8-18(17)22(15-37)34-25-9-10-26-31-13-23(36(26)35-25)21-11-20(33-16(2)3)19(12-30-21)27(38)32-14-24(29)28(4,5)39/h9-13,16-18,22,24,37,39H,6-8,14-15H2,1-5H3,(H,30,33)(H,32,38)(H,34,35)/t17?,18?,22?,24-/m1/s1.

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

6-[6-[[1-(2-ethylcyclobutyl)-2-hydroxyethyl]amino]imidazo[1,2-b]pyridazin-3-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 541.67 g/mol, XLogP of 3.66, 12 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[[1-(2-ethylcyclobutyl)-2-hydroxyethyl]amino]imidazo[1,2-b]pyridazin-3-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 146415779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).