N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C29H24FN9OS — CID 90246032

About N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 90246032) has the molecular formula C29H24FN9OS and a molecular weight of 565.64 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 90246032
• Molecular Formula: C29H24FN9OS
• Molecular Weight: 565.64 g/mol
• Exact Mass: 565.18
• IUPAC Name: N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2cccnc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CN(C)C3)ccc2n1
• InChI: InChI=1S/C29H24FN9OS/c1-17-27(41-29(33-17)19-4-3-11-31-12-19)28(40)35-23-15-39-24(34-23)10-9-22(36-39)26-25(18-5-7-20(30)8-6-18)32-16-38(26)21-13-37(2)14-21/h3-12,15-16,21H,13-14H2,1-2H3,(H,35,40)
• InChIKey: NRVYFAQGTJFUMF-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 106.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.64
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 90246032) is N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2cccnc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)ncn3C3CN(C)C3)ccc2n1.

What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

The InChIKey is NRVYFAQGTJFUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24FN9OS/c1-17-27(41-29(33-17)19-4-3-11-31-12-19)28(40)35-23-15-39-24(34-23)10-9-22(36-39)26-25(18-5-7-20(30)8-6-18)32-16-38(26)21-13-37(2)14-21/h3-12,15-16,21H,13-14H2,1-2H3,(H,35,40).

What are the key properties of N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?

N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 565.64 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[5-(4-fluorophenyl)-3-(1-methylazetidin-3-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90246032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).