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

C31H28FN9OS — CID 118538976

About N-[6-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-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-methylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 118538976) has the molecular formula C31H28FN9OS and a molecular weight of 593.69 g/mol. Its IUPAC name is N-[6-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-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-methylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
• PubChem CID: 118538976
• Molecular Formula: C31H28FN9OS
• Molecular Weight: 593.69 g/mol
• Exact Mass: 593.21
• IUPAC Name: N-[6-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-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)ncn3C3CCN(C)CC3)ccc2n1
• InChI: InChI=1S/C31H28FN9OS/c1-19-29(43-31(35-19)21-4-3-13-33-16-21)30(42)37-25-17-41-26(36-25)10-9-24(38-41)28-27(20-5-7-22(32)8-6-20)34-18-40(28)23-11-14-39(2)15-12-23/h3-10,13,16-18,23H,11-12,14-15H2,1-2H3,(H,37,42)
• InChIKey: FVNNRZUOYDROLW-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 106.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	593.69
LogP ≤ 5	5.74
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-methylpiperidin-4-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-methylpiperidin-4-yl)imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 118538976) is N-[6-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-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-methylpiperidin-4-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-methylpiperidin-4-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)ncn3C3CCN(C)CC3)ccc2n1.

What is the InChIKey of N-[6-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-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 FVNNRZUOYDROLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28FN9OS/c1-19-29(43-31(35-19)21-4-3-13-33-16-21)30(42)37-25-17-41-26(36-25)10-9-24(38-41)28-27(20-5-7-22(32)8-6-20)34-18-40(28)23-11-14-39(2)15-12-23/h3-10,13,16-18,23H,11-12,14-15H2,1-2H3,(H,37,42).

What are the key properties of N-[6-[5-(4-fluorophenyl)-3-(1-methylpiperidin-4-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-methylpiperidin-4-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 593.69 g/mol, XLogP of 5.74, 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-methylpiperidin-4-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 118538976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).