N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

C20H22N8O2S — CID 24857259

IUPACN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(Nc3ncc(-c4cn[nH]c4)n4ccnc34)cc2)CC1
InChIInChI=1S/C20H22N8O2S/c1-26-8-10-27(11-9-26)31(29,30)17-4-2-16(3-5-17)25-19-20-21-6-7-28(20)18(14-22-19)15-12-23-24-13-15/h2-7,12-14H,8-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyQQKWMHGZVOVUCM-UHFFFAOYSA-N
MW438.52 g/mol
LogP1.80
Rot. Bonds5

About N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine

N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 24857259) has the molecular formula C20H22N8O2S and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID24857259
Molecular FormulaC20H22N8O2S
Molecular Weight438.52 g/mol
Exact Mass438.16
IUPAC NameN-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCN1CCN(S(=O)(=O)c2ccc(Nc3ncc(-c4cn[nH]c4)n4ccnc34)cc2)CC1
InChIInChI=1S/C20H22N8O2S/c1-26-8-10-27(11-9-26)31(29,30)17-4-2-16(3-5-17)25-19-20-21-6-7-28(20)18(14-22-19)15-12-23-24-13-15/h2-7,12-14H,8-11H2,1H3,(H,22,25)(H,23,24)
InChIKeyQQKWMHGZVOVUCM-UHFFFAOYSA-N
XLogP1.80
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 24857259) is N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is CN1CCN(S(=O)(=O)c2ccc(Nc3ncc(-c4cn[nH]c4)n4ccnc34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is QQKWMHGZVOVUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2S/c1-26-8-10-27(11-9-26)31(29,30)17-4-2-16(3-5-17)25-19-20-21-6-7-28(20)18(14-22-19)15-12-23-24-13-15/h2-7,12-14H,8-11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine?
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 438.52 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 24857259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).