N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide

C25H22F3N9O3S — CID 156840498

About N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide (PubChem CID 156840498) has the molecular formula C25H22F3N9O3S and a molecular weight of 585.57 g/mol. Its IUPAC name is N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide.

Molecular Properties

• Compound Name: N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide
• PubChem CID: 156840498
• Molecular Formula: C25H22F3N9O3S
• Molecular Weight: 585.57 g/mol
• Exact Mass: 585.15
• IUPAC Name: N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide
• SMILES: O=S(=O)(N1CCN(c2ncccn2)CC1)N(Cc1cn2ccc(-c3nnc(C(F)F)o3)cc2n1)c1cccc(F)c1
• InChI: InChI=1S/C25H22F3N9O3S/c26-18-3-1-4-20(14-18)37(41(38,39)36-11-9-34(10-12-36)25-29-6-2-7-30-25)16-19-15-35-8-5-17(13-21(35)31-19)23-32-33-24(40-23)22(27)28/h1-8,13-15,22H,9-12,16H2
• InChIKey: IWCPIACMORBBNI-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 125.86 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.57
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide?

The IUPAC name of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide (CID 156840498) is N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide.

What is the SMILES notation for N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide?

The canonical SMILES for N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide is O=S(=O)(N1CCN(c2ncccn2)CC1)N(Cc1cn2ccc(-c3nnc(C(F)F)o3)cc2n1)c1cccc(F)c1.

What is the InChIKey of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide?

The InChIKey is IWCPIACMORBBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N9O3S/c26-18-3-1-4-20(14-18)37(41(38,39)36-11-9-34(10-12-36)25-29-6-2-7-30-25)16-19-15-35-8-5-17(13-21(35)31-19)23-32-33-24(40-23)22(27)28/h1-8,13-15,22H,9-12,16H2.

What are the key properties of N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide?

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide has a molecular weight of 585.57 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-pyrimidin-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 156840498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).