6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

C20H23BrN6O2 — CID 86705413

IUPAC6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(Nc2nc(Br)cn3ccnc23)ccc1N1CCN(C2COC2)CC1
InChIInChI=1S/C20H23BrN6O2/c1-28-17-10-14(23-19-20-22-4-5-27(20)11-18(21)24-19)2-3-16(17)26-8-6-25(7-9-26)15-12-29-13-15/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,23,24)
InChIKeyUGVUBHDTUSNXOU-UHFFFAOYSA-N
MW459.35 g/mol
LogP2.76
Rot. Bonds5

About 6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 86705413) has the molecular formula C20H23BrN6O2 and a molecular weight of 459.35 g/mol. Its IUPAC name is 6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID86705413
Molecular FormulaC20H23BrN6O2
Molecular Weight459.35 g/mol
Exact Mass458.11
IUPAC Name6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(Nc2nc(Br)cn3ccnc23)ccc1N1CCN(C2COC2)CC1
InChIInChI=1S/C20H23BrN6O2/c1-28-17-10-14(23-19-20-22-4-5-27(20)11-18(21)24-19)2-3-16(17)26-8-6-25(7-9-26)15-12-29-13-15/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,23,24)
InChIKeyUGVUBHDTUSNXOU-UHFFFAOYSA-N
XLogP2.76
TPSA67.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
CID 168821272
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
6-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 72695259
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
N-(3-methoxy-4-morpholin-4-ylphenyl)-6-[5-(methylamino)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-amine
CID 59473561
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 72695669
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(3-methoxy-4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 91489187
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 148686575
6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 72695668
7-[8-(3-methoxy-4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 72695166
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-1-yl)-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine
CID 162098947

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 86705413) is 6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is COc1cc(Nc2nc(Br)cn3ccnc23)ccc1N1CCN(C2COC2)CC1.
What is the InChIKey of 6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is UGVUBHDTUSNXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN6O2/c1-28-17-10-14(23-19-20-22-4-5-27(20)11-18(21)24-19)2-3-16(17)26-8-6-25(7-9-26)15-12-29-13-15/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,23,24).
What are the key properties of 6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 459.35 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-methoxy-4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 86705413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).