N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide

C24H23F2N7O2S — CID 146635887

About N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide

N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 146635887) has the molecular formula C24H23F2N7O2S and a molecular weight of 511.56 g/mol. Its IUPAC name is N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
• PubChem CID: 146635887
• Molecular Formula: C24H23F2N7O2S
• Molecular Weight: 511.56 g/mol
• Exact Mass: 511.16
• IUPAC Name: N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide
• SMILES: O=C(Nc1cnc2ccc(N3CCCC3c3cc(F)ccc3F)nn12)c1cnc(N2CCC(O)C2)s1
• InChI: InChI=1S/C24H23F2N7O2S/c25-14-3-4-17(26)16(10-14)18-2-1-8-32(18)21-6-5-20-27-12-22(33(20)30-21)29-23(35)19-11-28-24(36-19)31-9-7-15(34)13-31/h3-6,10-12,15,18,34H,1-2,7-9,13H2,(H,29,35)
• InChIKey: SCDBZACWEPJULS-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 98.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.56
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide?

The IUPAC name of N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide (CID 146635887) is N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide.

What is the SMILES notation for N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide?

The canonical SMILES for N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide is O=C(Nc1cnc2ccc(N3CCCC3c3cc(F)ccc3F)nn12)c1cnc(N2CCC(O)C2)s1.

What is the InChIKey of N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide?

The InChIKey is SCDBZACWEPJULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N7O2S/c25-14-3-4-17(26)16(10-14)18-2-1-8-32(18)21-6-5-20-27-12-22(33(20)30-21)29-23(35)19-11-28-24(36-19)31-9-7-15(34)13-31/h3-6,10-12,15,18,34H,1-2,7-9,13H2,(H,29,35).

What are the key properties of N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide?

N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 511.56 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-(3-hydroxypyrrolidin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146635887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).