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

C27H29N7O2 — CID 72695564

IUPAC6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(-c3ccc4c(c3)NCCO4)nc(Nc3ccc(N4CCN(C5COC5)CC4)cc3)c2n1
InChIInChI=1S/C27H29N7O2/c1-6-25-23(28-8-14-36-25)15-19(1)24-16-34-9-7-29-27(34)26(31-24)30-20-2-4-21(5-3-20)32-10-12-33(13-11-32)22-17-35-18-22/h1-7,9,15-16,22,28H,8,10-14,17-18H2,(H,30,31)
InChIKeyJMUYSSBOQHMVKX-UHFFFAOYSA-N
MW483.58 g/mol
LogP3.46
Rot. Bonds5

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

6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 72695564) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID72695564
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2cc(-c3ccc4c(c3)NCCO4)nc(Nc3ccc(N4CCN(C5COC5)CC4)cc3)c2n1
InChIInChI=1S/C27H29N7O2/c1-6-25-23(28-8-14-36-25)15-19(1)24-16-34-9-7-29-27(34)26(31-24)30-20-2-4-21(5-3-20)32-10-12-33(13-11-32)22-17-35-18-22/h1-7,9,15-16,22,28H,8,10-14,17-18H2,(H,30,31)
InChIKeyJMUYSSBOQHMVKX-UHFFFAOYSA-N
XLogP3.46
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 72695564) is 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is c1cn2cc(-c3ccc4c(c3)NCCO4)nc(Nc3ccc(N4CCN(C5COC5)CC4)cc3)c2n1.
What is the InChIKey of 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is JMUYSSBOQHMVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-6-25-23(28-8-14-36-25)15-19(1)24-16-34-9-7-29-27(34)26(31-24)30-20-2-4-21(5-3-20)32-10-12-33(13-11-32)22-17-35-18-22/h1-7,9,15-16,22,28H,8,10-14,17-18H2,(H,30,31).
What are the key properties of 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine?
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 483.58 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 72695564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).