3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide

C24H19FN6O — CID 122285837

About 3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide (PubChem CID 122285837) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide
• PubChem CID: 122285837
• Molecular Formula: C24H19FN6O
• Molecular Weight: 426.46 g/mol
• Exact Mass: 426.16
• IUPAC Name: 3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide
• SMILES: Cc1c(-c2cccc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)c2)nc2ncccn12
• InChI: InChI=1S/C24H19FN6O/c1-15-22(28-24-26-11-4-12-31(15)24)17-5-3-6-19(13-17)27-23(32)21-14-20(29-30(21)2)16-7-9-18(25)10-8-16/h3-14H,1-2H3,(H,27,32)
• InChIKey: SYGQVPCKLDHRIJ-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 77.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.46
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide?

The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide (CID 122285837) is 3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide.

What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide?

The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide is Cc1c(-c2cccc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)c2)nc2ncccn12.

What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide?

The InChIKey is SYGQVPCKLDHRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-15-22(28-24-26-11-4-12-31(15)24)17-5-3-6-19(13-17)27-23(32)21-14-20(29-30(21)2)16-7-9-18(25)10-8-16/h3-14H,1-2H3,(H,27,32).

What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide?

3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide has a molecular weight of 426.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-1-methyl-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 122285837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).