4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide

C24H26FN7O4 — CID 53468648

About 4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide

4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide (PubChem CID 53468648) has the molecular formula C24H26FN7O4 and a molecular weight of 495.52 g/mol. Its IUPAC name is 4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide.

Molecular Properties

• Compound Name: 4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
• PubChem CID: 53468648
• Molecular Formula: C24H26FN7O4
• Molecular Weight: 495.52 g/mol
• Exact Mass: 495.20
• IUPAC Name: 4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
• SMILES: COc1cccc(-c2cn3ccc(NC(=O)c4c(C(=O)N(C)CCOCCF)cnn4C)nc3n2)c1
• InChI: InChI=1S/C24H26FN7O4/c1-30(10-12-36-11-8-25)23(34)18-14-26-31(2)21(18)22(33)28-20-7-9-32-15-19(27-24(32)29-20)16-5-4-6-17(13-16)35-3/h4-7,9,13-15H,8,10-12H2,1-3H3,(H,27,28,29,33)
• InChIKey: NNMCOXGVVINTLX-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 115.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.52
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?

The IUPAC name of 4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide (CID 53468648) is 4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide.

What is the SMILES notation for 4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?

The canonical SMILES for 4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide is COc1cccc(-c2cn3ccc(NC(=O)c4c(C(=O)N(C)CCOCCF)cnn4C)nc3n2)c1.

What is the InChIKey of 4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?

The InChIKey is NNMCOXGVVINTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O4/c1-30(10-12-36-11-8-25)23(34)18-14-26-31(2)21(18)22(33)28-20-7-9-32-15-19(27-24(32)29-20)16-5-4-6-17(13-16)35-3/h4-7,9,13-15H,8,10-12H2,1-3H3,(H,27,28,29,33).

What are the key properties of 4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide?

4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide has a molecular weight of 495.52 g/mol, XLogP of 2.45, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide is sourced from PubChem (CID 53468648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).