4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one

C26H28N4O2 — CID 140905321

IUPAC4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one
SMILESCOc1cc(-c2cnc3cnc(-c4ccc(C(=O)CCCN(C)C)cc4)cn23)ccc1C
InChIInChI=1S/C26H28N4O2/c1-18-7-8-21(14-25(18)32-4)23-15-28-26-16-27-22(17-30(23)26)19-9-11-20(12-10-19)24(31)6-5-13-29(2)3/h7-12,14-17H,5-6,13H2,1-4H3
InChIKeyDVAPOWYTTFURKP-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.90
Rot. Bonds8

About 4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one

4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one (PubChem CID 140905321) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one.

Molecular Properties

Compound Name4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one
PubChem CID140905321
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one
SMILESCOc1cc(-c2cnc3cnc(-c4ccc(C(=O)CCCN(C)C)cc4)cn23)ccc1C
InChIInChI=1S/C26H28N4O2/c1-18-7-8-21(14-25(18)32-4)23-15-28-26-16-27-22(17-30(23)26)19-9-11-20(12-10-19)24(31)6-5-13-29(2)3/h7-12,14-17H,5-6,13H2,1-4H3
InChIKeyDVAPOWYTTFURKP-UHFFFAOYSA-N
XLogP4.90
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one?
The IUPAC name of 4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one (CID 140905321) is 4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one.
What is the SMILES notation for 4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one?
The canonical SMILES for 4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one is COc1cc(-c2cnc3cnc(-c4ccc(C(=O)CCCN(C)C)cc4)cn23)ccc1C.
What is the InChIKey of 4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one?
The InChIKey is DVAPOWYTTFURKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-18-7-8-21(14-25(18)32-4)23-15-28-26-16-27-22(17-30(23)26)19-9-11-20(12-10-19)24(31)6-5-13-29(2)3/h7-12,14-17H,5-6,13H2,1-4H3.
What are the key properties of 4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one?
4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one has a molecular weight of 428.54 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-[4-[3-(3-methoxy-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]butan-1-one is sourced from PubChem (CID 140905321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).