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

C19H20N6O3S — CID 59299184

IUPAC[7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol
SMILESCCS(=O)(=O)c1cccc(-c2cc3nc(CO)cn3c(Nc3cc(C)[nH]n3)n2)c1
InChIInChI=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)
InChIKeyDURKWYKYYAVXDM-UHFFFAOYSA-N
MW412.48 g/mol
LogP2.46
Rot. Bonds6

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 CID59299184
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC Name[7-(3-ethylsulfonylphenyl)-5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-2-yl]methanol
SMILESCCS(=O)(=O)c1cccc(-c2cc3nc(CO)cn3c(Nc3cc(C)[nH]n3)n2)c1
InChIInChI=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)
InChIKeyDURKWYKYYAVXDM-UHFFFAOYSA-N
XLogP2.46
TPSA125.27 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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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).