[8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone

C27H23FN6O2 — CID 137372379

IUPAC[8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)N5CCOCC5)cn34)cc12
InChIInChI=1S/C27H23FN6O2/c1-16-8-9-30-21-7-4-18(14-20(16)21)24-23(17-2-5-19(28)6-3-17)32-25(29)26-31-22(15-34(24)26)27(35)33-10-12-36-13-11-33/h2-9,14-15H,10-13H2,1H3,(H2,29,32)
InChIKeyJVQOJXMGRLKMOZ-UHFFFAOYSA-N
MW482.52 g/mol
LogP4.11
Rot. Bonds3

About [8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone

[8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone (PubChem CID 137372379) has the molecular formula C27H23FN6O2 and a molecular weight of 482.52 g/mol. Its IUPAC name is [8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
PubChem CID137372379
Molecular FormulaC27H23FN6O2
Molecular Weight482.52 g/mol
Exact Mass482.19
IUPAC Name[8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)N5CCOCC5)cn34)cc12
InChIInChI=1S/C27H23FN6O2/c1-16-8-9-30-21-7-4-18(14-20(16)21)24-23(17-2-5-19(28)6-3-17)32-25(29)26-31-22(15-34(24)26)27(35)33-10-12-36-13-11-33/h2-9,14-15H,10-13H2,1H3,(H2,29,32)
InChIKeyJVQOJXMGRLKMOZ-UHFFFAOYSA-N
XLogP4.11
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone (CID 137372379) is [8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone is Cc1ccnc2ccc(-c3c(-c4ccc(F)cc4)nc(N)c4nc(C(=O)N5CCOCC5)cn34)cc12.
What is the InChIKey of [8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is JVQOJXMGRLKMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN6O2/c1-16-8-9-30-21-7-4-18(14-20(16)21)24-23(17-2-5-19(28)6-3-17)32-25(29)26-31-22(15-34(24)26)27(35)33-10-12-36-13-11-33/h2-9,14-15H,10-13H2,1H3,(H2,29,32).
What are the key properties of [8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone?
[8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 482.52 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-6-(4-fluorophenyl)-5-(4-methylquinolin-6-yl)imidazo[1,2-a]pyrazin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 137372379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).