[7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol

C19H20N6O3S — CID 59299184

About [7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol

[7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol (PubChem CID 59299184) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is [7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol.

Molecular Properties

• Compound Name: [7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol
• PubChem CID: 59299184
• Molecular Formula: C19H20N6O3S
• Molecular Weight: 412.48 g/mol
• Exact Mass: 412.13
• IUPAC Name: [7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol
• SMILES: CCS(=O)(=O)c1cccc(-c2cc3nc(CO)cn3c(Nc3cc(C)[nH]n3)n2)c1
• InChI: InChI=1S/C19H20N6O3S/c1-3-29(27,28)15-6-4-5-13(8-15)16-9-18-20-14(11-26)10-25(18)19(21-16)22-17-7-12(2)23-24-17/h4-10,26H,3,11H2,1-2H3,(H2,21,22,23,24)
• InChIKey: DURKWYKYYAVXDM-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 125.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.48
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol?

The IUPAC name of [7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol (CID 59299184) is [7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol.

What is the SMILES notation for [7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol?

The canonical SMILES for [7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol is CCS(=O)(=O)c1cccc(-c2cc3nc(CO)cn3c(Nc3cc(C)[nH]n3)n2)c1.

What is the InChIKey of [7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol?

The InChIKey is DURKWYKYYAVXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-3-29(27,28)15-6-4-5-13(8-15)16-9-18-20-14(11-26)10-25(18)19(21-16)22-17-7-12(2)23-24-17/h4-10,26H,3,11H2,1-2H3,(H2,21,22,23,24).

What are the key properties of [7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol?

[7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol has a molecular weight of 412.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol is sourced from PubChem (CID 59299184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).