methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

C20H26N6O4S — CID 172753640

IUPACmethanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCS(=O)(=O)O.c1cn2ccnc2c(Nc2ccc(N3CCN(C4COC4)CC3)cc2)n1
InChIInChI=1S/C19H22N6O.CH4O3S/c1-3-16(23-9-11-24(12-10-23)17-13-26-14-17)4-2-15(1)22-18-19-21-6-8-25(19)7-5-20-18;1-5(2,3)4/h1-8,17H,9-14H2,(H,20,22);1H3,(H,2,3,4)
InChIKeyKSJJHQZEQLXJTG-UHFFFAOYSA-N
MW446.53 g/mol
LogP1.50
Rot. Bonds4

About methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 172753640) has the molecular formula C20H26N6O4S and a molecular weight of 446.53 g/mol. Its IUPAC name is methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Namemethanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID172753640
Molecular FormulaC20H26N6O4S
Molecular Weight446.53 g/mol
Exact Mass446.17
IUPAC Namemethanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCS(=O)(=O)O.c1cn2ccnc2c(Nc2ccc(N3CCN(C4COC4)CC3)cc2)n1
InChIInChI=1S/C19H22N6O.CH4O3S/c1-3-16(23-9-11-24(12-10-23)17-13-26-14-17)4-2-15(1)22-18-19-21-6-8-25(19)7-5-20-18;1-5(2,3)4/h1-8,17H,9-14H2,(H,20,22);1H3,(H,2,3,4)
InChIKeyKSJJHQZEQLXJTG-UHFFFAOYSA-N
XLogP1.50
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[4-(imidazo[1,2-a]pyrazin-8-ylamino)phenyl]pyrrolidin-3-ol
CID 141271458
tert-butyl N-[(2-methylpropan-2-yl)oxycarbonyl]-N-[6-[8-[4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]pyrazin-2-yl]carbamate
CID 118187635
5-(6-aminopyrazin-2-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 155635343
2-methylprop-1-enylhydrazine;N-(4-piperidin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 143460673
6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 86705413
[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl] N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]carbamate
CID 140706916
6-[3-(methylsulfonylmethyl)phenyl]-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 152942999
N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine
CID 141441950
2-[5-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-1,3-thiazol-2-yl]propan-2-ol
CID 90027384
7-[8-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]anilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-5-one
CID 72694449
2-[5-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-[4-(oxetan-3-yl)piperazin-1-yl]phenoxy]ethanol
CID 118161065
6-(5-ethyl-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 147813694

Frequently Asked Questions

What is the IUPAC name of methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 172753640) is methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is CS(=O)(=O)O.c1cn2ccnc2c(Nc2ccc(N3CCN(C4COC4)CC3)cc2)n1.
What is the InChIKey of methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is KSJJHQZEQLXJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O.CH4O3S/c1-3-16(23-9-11-24(12-10-23)17-13-26-14-17)4-2-15(1)22-18-19-21-6-8-25(19)7-5-20-18;1-5(2,3)4/h1-8,17H,9-14H2,(H,20,22);1H3,(H,2,3,4).
What are the key properties of methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 446.53 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonic acid;N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 172753640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).