[4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine

C48H50N12O3 — CID 68606276

IUPAC[4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCc1c(N)cccc1-c1cn2ccnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1.Cc1c(N)cccc1-c1cn2ccnc2c(Nc2ccc(CN3CCOCC3)cc2)n1
InChIInChI=1S/C24H24N6O2.C24H26N6O/c1-16-19(3-2-4-20(16)25)21-15-30-10-9-26-23(30)22(28-21)27-18-7-5-17(6-8-18)24(31)29-11-13-32-14-12-29;1-17-20(3-2-4-21(17)25)22-16-30-10-9-26-24(30)23(28-22)27-19-7-5-18(6-8-19)15-29-11-13-31-14-12-29/h2-10,15H,11-14,25H2,1H3,(H,27,28);2-10,16H,11-15,25H2,1H3,(H,27,28)
InChIKeyHFRWCYAGXSGDCT-UHFFFAOYSA-N
MW843.01 g/mol
LogP7.37
Rot. Bonds9

About [4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine

[4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 68606276) has the molecular formula C48H50N12O3 and a molecular weight of 843.01 g/mol. Its IUPAC name is [4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name[4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID68606276
Molecular FormulaC48H50N12O3
Molecular Weight843.01 g/mol
Exact Mass842.41
IUPAC Name[4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCc1c(N)cccc1-c1cn2ccnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1.Cc1c(N)cccc1-c1cn2ccnc2c(Nc2ccc(CN3CCOCC3)cc2)n1
InChIInChI=1S/C24H24N6O2.C24H26N6O/c1-16-19(3-2-4-20(16)25)21-15-30-10-9-26-23(30)22(28-21)27-18-7-5-17(6-8-18)24(31)29-11-13-32-14-12-29;1-17-20(3-2-4-21(17)25)22-16-30-10-9-26-24(30)23(28-22)27-19-7-5-18(6-8-19)15-29-11-13-31-14-12-29/h2-10,15H,11-14,25H2,1H3,(H,27,28);2-10,16H,11-15,25H2,1H3,(H,27,28)
InChIKeyHFRWCYAGXSGDCT-UHFFFAOYSA-N
XLogP7.37
TPSA178.49 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.01
LogP ≤ 57.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of [4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 68606276) is [4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for [4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for [4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine is Cc1c(N)cccc1-c1cn2ccnc2c(Nc2ccc(C(=O)N3CCOCC3)cc2)n1.Cc1c(N)cccc1-c1cn2ccnc2c(Nc2ccc(CN3CCOCC3)cc2)n1.
What is the InChIKey of [4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is HFRWCYAGXSGDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2.C24H26N6O/c1-16-19(3-2-4-20(16)25)21-15-30-10-9-26-23(30)22(28-21)27-18-7-5-17(6-8-18)24(31)29-11-13-32-14-12-29;1-17-20(3-2-4-21(17)25)22-16-30-10-9-26-24(30)23(28-22)27-19-7-5-18(6-8-19)15-29-11-13-31-14-12-29/h2-10,15H,11-14,25H2,1H3,(H,27,28);2-10,16H,11-15,25H2,1H3,(H,27,28).
What are the key properties of [4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine?
[4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 843.01 g/mol, XLogP of 7.37, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(3-amino-2-methylphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-morpholin-4-ylmethanone;6-(3-amino-2-methylphenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 68606276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).