N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-(oxan-4-yl)piperazine-1-carboxamide

C₂₇H₂₈F₃N₇O₃ — CID 156840617

About N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-(oxan-4-yl)piperazine-1-carboxamide

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-(oxan-4-yl)piperazine-1-carboxamide (PubChem CID 156840617) has the molecular formula C₂₇H₂₈F₃N₇O₃ and a molecular weight of 555.56 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-(oxan-4-yl)piperazine-1-carboxamide.

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-(oxan-4-yl)piperazine-1-carboxamide
• PubChem CID: 156840617
• Molecular Formula: C₂₇H₂₈F₃N₇O₃
• Molecular Weight: 555.56 g/mol
• Exact Mass: 555.22
• IUPAC Name: N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-(oxan-4-yl)piperazine-1-carboxamide
• SMILES: O=C(N1CCN(C2CCOCC2)CC1)N(Cc1cn2ccc(-c3nnc(C(F)F)o3)cc2n1)c1cccc(F)c1
• InChI: InChI=1S/C27H28F3N7O3/c28-19-2-1-3-22(15-19)37(27(38)35-10-8-34(9-11-35)21-5-12-39-13-6-21)17-20-16-36-7-4-18(14-23(36)31-20)25-32-33-26(40-25)24(29)30/h1-4,7,14-16,21,24H,5-6,8-13,17H2
• InChIKey: KBRGKIZYFDSLDS-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 92.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.56
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-(oxan-4-yl)piperazine-1-carboxamide?

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-(oxan-4-yl)piperazine-1-carboxamide (CID 156840617) is N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-(oxan-4-yl)piperazine-1-carboxamide.

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-(oxan-4-yl)piperazine-1-carboxamide?

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-(oxan-4-yl)piperazine-1-carboxamide is O=C(N1CCN(C2CCOCC2)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-(oxan-4-yl)piperazine-1-carboxamide?

The InChIKey is KBRGKIZYFDSLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N7O3/c28-19-2-1-3-22(15-19)37(27(38)35-10-8-34(9-11-35)21-5-12-39-13-6-21)17-20-16-36-7-4-18(14-23(36)31-20)25-32-33-26(40-25)24(29)30/h1-4,7,14-16,21,24H,5-6,8-13,17H2.

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-(oxan-4-yl)piperazine-1-carboxamide?

N-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl]-N-(3-fluorophenyl)-4-(oxan-4-yl)piperazine-1-carboxamide has a molecular weight of 555.56 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 8 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-(oxan-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 156840617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156840617 — identifiers, structure, computed properties (public domain)

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