N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide

C₃₃H₃₁F₂N₅O — CID 83276200

About N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide

N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide (PubChem CID 83276200) has the molecular formula C₃₃H₃₁F₂N₅O and a molecular weight of 551.64 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
• PubChem CID: 83276200
• Molecular Formula: C₃₃H₃₁F₂N₅O
• Molecular Weight: 551.64 g/mol
• Exact Mass: 551.25
• IUPAC Name: N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide
• SMILES: Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CN4CCN(C(=O)Nc5ccc(F)cc5F)CC4)n3c2)c1
• InChI: InChI=1S/C33H31F2N5O/c1-22-8-9-23(2)27(18-22)25-10-13-31-37-32(24-6-4-3-5-7-24)30(40(31)20-25)21-38-14-16-39(17-15-38)33(41)36-29-12-11-26(34)19-28(29)35/h3-13,18-20H,14-17,21H2,1-2H3,(H,36,41)
• InChIKey: NRFLPRVBDARVGV-UHFFFAOYSA-N
• XLogP: 6.91
• TPSA: 52.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.64
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide?

The IUPAC name of N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide (CID 83276200) is N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide.

What is the SMILES notation for N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide?

The canonical SMILES for N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide is Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(CN4CCN(C(=O)Nc5ccc(F)cc5F)CC4)n3c2)c1.

What is the InChIKey of N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide?

The InChIKey is NRFLPRVBDARVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2N5O/c1-22-8-9-23(2)27(18-22)25-10-13-31-37-32(24-6-4-3-5-7-24)30(40(31)20-25)21-38-14-16-39(17-15-38)33(41)36-29-12-11-26(34)19-28(29)35/h3-13,18-20H,14-17,21H2,1-2H3,(H,36,41).

What are the key properties of N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide?

N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide has a molecular weight of 551.64 g/mol, XLogP of 6.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluorophenyl)-4-[[6-(2,5-dimethylphenyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 83276200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 83276200 — identifiers, structure, computed properties (public domain)

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