[(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol

C20H25FN6O — CID 155483867

IUPAC[(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol
SMILESCc1cn2cc(NC(O)c3ccc(N4CCNC(C)C4)cc3F)nc2c(C)n1
InChIInChI=1S/C20H25FN6O/c1-12-9-26(7-6-22-12)15-4-5-16(17(21)8-15)20(28)25-18-11-27-10-13(2)23-14(3)19(27)24-18/h4-5,8,10-12,20,22,25,28H,6-7,9H2,1-3H3
InChIKeyQTXIBJMPOAZLAB-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.39
Rot. Bonds4

About [(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol

[(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol (PubChem CID 155483867) has the molecular formula C20H25FN6O and a molecular weight of 384.46 g/mol. Its IUPAC name is [(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol
PubChem CID155483867
Molecular FormulaC20H25FN6O
Molecular Weight384.46 g/mol
Exact Mass384.21
IUPAC Name[(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol
SMILESCc1cn2cc(NC(O)c3ccc(N4CCNC(C)C4)cc3F)nc2c(C)n1
InChIInChI=1S/C20H25FN6O/c1-12-9-26(7-6-22-12)15-4-5-16(17(21)8-15)20(28)25-18-11-27-10-13(2)23-14(3)19(27)24-18/h4-5,8,10-12,20,22,25,28H,6-7,9H2,1-3H3
InChIKeyQTXIBJMPOAZLAB-UHFFFAOYSA-N
XLogP2.39
TPSA77.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol?
The IUPAC name of [(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol (CID 155483867) is [(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol.
What is the SMILES notation for [(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol?
The canonical SMILES for [(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol is Cc1cn2cc(NC(O)c3ccc(N4CCNC(C)C4)cc3F)nc2c(C)n1.
What is the InChIKey of [(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol?
The InChIKey is QTXIBJMPOAZLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O/c1-12-9-26(7-6-22-12)15-4-5-16(17(21)8-15)20(28)25-18-11-27-10-13(2)23-14(3)19(27)24-18/h4-5,8,10-12,20,22,25,28H,6-7,9H2,1-3H3.
What are the key properties of [(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol?
[(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol has a molecular weight of 384.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)amino]-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]methanol is sourced from PubChem (CID 155483867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).