N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine

C25H25N7O — CID 59473079

IUPACN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESC[C@@H]1CN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C[C@H](C)O1
InChIInChI=1S/C25H25N7O/c1-16-13-32(14-17(2)33-16)21-7-5-20(6-8-21)28-24-25-26-9-10-31(25)15-23(29-24)18-3-4-19-12-27-30-22(19)11-18/h3-12,15-17H,13-14H2,1-2H3,(H,27,30)(H,28,29)/t16-,17+
InChIKeyBYAVZVVEXOQOAV-CALCHBBNSA-N
MW439.52 g/mol
LogP4.63
Rot. Bonds4

About N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine

N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 59473079) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID59473079
Molecular FormulaC25H25N7O
Molecular Weight439.52 g/mol
Exact Mass439.21
IUPAC NameN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESC[C@@H]1CN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C[C@H](C)O1
InChIInChI=1S/C25H25N7O/c1-16-13-32(14-17(2)33-16)21-7-5-20(6-8-21)28-24-25-26-9-10-31(25)15-23(29-24)18-3-4-19-12-27-30-22(19)11-18/h3-12,15-17H,13-14H2,1-2H3,(H,27,30)(H,28,29)/t16-,17+
InChIKeyBYAVZVVEXOQOAV-CALCHBBNSA-N
XLogP4.63
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine (CID 59473079) is N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine is C[C@@H]1CN(c2ccc(Nc3nc(-c4ccc5cn[nH]c5c4)cn4ccnc34)cc2)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is BYAVZVVEXOQOAV-CALCHBBNSA-N. The full InChI is InChI=1S/C25H25N7O/c1-16-13-32(14-17(2)33-16)21-7-5-20(6-8-21)28-24-25-26-9-10-31(25)15-23(29-24)18-3-4-19-12-27-30-22(19)11-18/h3-12,15-17H,13-14H2,1-2H3,(H,27,30)(H,28,29)/t16-,17+.
What are the key properties of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine?
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 439.52 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 59473079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).