3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine

C20H21N7O3S — CID 16666222

IUPAC3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4cccc(S(=O)(=O)N5CCOCC5)c4)nccn23)cn1
InChIInChI=1S/C20H21N7O3S/c1-25-14-15(12-23-25)18-13-22-20-19(21-5-6-27(18)20)24-16-3-2-4-17(11-16)31(28,29)26-7-9-30-10-8-26/h2-6,11-14H,7-10H2,1H3,(H,21,24)
InChIKeyFKJYYYZADKRLPE-UHFFFAOYSA-N
MW439.50 g/mol
LogP1.89
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine

3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 16666222) has the molecular formula C20H21N7O3S and a molecular weight of 439.50 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID16666222
Molecular FormulaC20H21N7O3S
Molecular Weight439.50 g/mol
Exact Mass439.14
IUPAC Name3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCn1cc(-c2cnc3c(Nc4cccc(S(=O)(=O)N5CCOCC5)c4)nccn23)cn1
InChIInChI=1S/C20H21N7O3S/c1-25-14-15(12-23-25)18-13-22-20-19(21-5-6-27(18)20)24-16-3-2-4-17(11-16)31(28,29)26-7-9-30-10-8-26/h2-6,11-14H,7-10H2,1H3,(H,21,24)
InChIKeyFKJYYYZADKRLPE-UHFFFAOYSA-N
XLogP1.89
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 16666222) is 3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine is Cn1cc(-c2cnc3c(Nc4cccc(S(=O)(=O)N5CCOCC5)c4)nccn23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is FKJYYYZADKRLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3S/c1-25-14-15(12-23-25)18-13-22-20-19(21-5-6-27(18)20)24-16-3-2-4-17(11-16)31(28,29)26-7-9-30-10-8-26/h2-6,11-14H,7-10H2,1H3,(H,21,24).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine?
3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 439.50 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-(3-morpholin-4-ylsulfonylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 16666222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).