[(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol

C21H22N8O2 — CID 118161063

IUPAC[(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
SMILESNc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCO[C@@H](CO)C4)cc3)n2)n1
InChIInChI=1S/C21H22N8O2/c22-19-10-23-9-17(26-19)18-12-29-6-5-24-21(29)20(27-18)25-14-1-3-15(4-2-14)28-7-8-31-16(11-28)13-30/h1-6,9-10,12,16,30H,7-8,11,13H2,(H2,22,26)(H,25,27)/t16-/m1/s1
InChIKeyYMHAMCHFUTYGTR-MRXNPFEDSA-N
MW418.46 g/mol
LogP1.71
Rot. Bonds5

About [(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol

[(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol (PubChem CID 118161063) has the molecular formula C21H22N8O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is [(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
PubChem CID118161063
Molecular FormulaC21H22N8O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name[(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
SMILESNc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCO[C@@H](CO)C4)cc3)n2)n1
InChIInChI=1S/C21H22N8O2/c22-19-10-23-9-17(26-19)18-12-29-6-5-24-21(29)20(27-18)25-14-1-3-15(4-2-14)28-7-8-31-16(11-28)13-30/h1-6,9-10,12,16,30H,7-8,11,13H2,(H2,22,26)(H,25,27)/t16-/m1/s1
InChIKeyYMHAMCHFUTYGTR-MRXNPFEDSA-N
XLogP1.71
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol?
The IUPAC name of [(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol (CID 118161063) is [(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol?
The canonical SMILES for [(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol is Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCO[C@@H](CO)C4)cc3)n2)n1.
What is the InChIKey of [(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol?
The InChIKey is YMHAMCHFUTYGTR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N8O2/c22-19-10-23-9-17(26-19)18-12-29-6-5-24-21(29)20(27-18)25-14-1-3-15(4-2-14)28-7-8-31-16(11-28)13-30/h1-6,9-10,12,16,30H,7-8,11,13H2,(H2,22,26)(H,25,27)/t16-/m1/s1.
What are the key properties of [(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol?
[(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol has a molecular weight of 418.46 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[4-[[6-(6-aminopyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol is sourced from PubChem (CID 118161063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).