4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol

C20H18N4O3S — CID 135931654

IUPAC4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1
InChIInChI=1S/C20H18N4O3S/c1-28(26,27)17-8-2-14(3-9-17)12-22-19-20-23-13-18(24(20)11-10-21-19)15-4-6-16(25)7-5-15/h2-11,13,25H,12H2,1H3,(H,21,22)
InChIKeyKSGPINNYAMUQAE-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.12
Rot. Bonds5

About 4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol

4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 135931654) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID135931654
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1
InChIInChI=1S/C20H18N4O3S/c1-28(26,27)17-8-2-14(3-9-17)12-22-19-20-23-13-18(24(20)11-10-21-19)15-4-6-16(25)7-5-15/h2-11,13,25H,12H2,1H3,(H,21,22)
InChIKeyKSGPINNYAMUQAE-UHFFFAOYSA-N
XLogP3.12
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 135931654) is 4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol is CS(=O)(=O)c1ccc(CNc2nccn3c(-c4ccc(O)cc4)cnc23)cc1.
What is the InChIKey of 4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is KSGPINNYAMUQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-28(26,27)17-8-2-14(3-9-17)12-22-19-20-23-13-18(24(20)11-10-21-19)15-4-6-16(25)7-5-15/h2-11,13,25H,12H2,1H3,(H,21,22).
What are the key properties of 4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 394.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(4-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 135931654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).