2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one

C29H26N8O2 — CID 86346032

IUPAC2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one
SMILESO=c1ncn(-c2ccc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cc2)[nH]1
InChIInChI=1S/C29H26N8O2/c38-29-31-19-37(34-29)24-11-6-21(7-12-24)26-17-30-27(35-13-15-39-16-14-35)28-33-23(18-36(26)28)10-9-22-8-5-20-3-1-2-4-25(20)32-22/h1-8,11-12,17-19H,9-10,13-16H2,(H,34,38)
InChIKeyGQEBDTUZNXUBDZ-UHFFFAOYSA-N
MW518.58 g/mol
LogP3.44
Rot. Bonds6

About 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one

2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one (PubChem CID 86346032) has the molecular formula C29H26N8O2 and a molecular weight of 518.58 g/mol. Its IUPAC name is 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one
PubChem CID86346032
Molecular FormulaC29H26N8O2
Molecular Weight518.58 g/mol
Exact Mass518.22
IUPAC Name2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one
SMILESO=c1ncn(-c2ccc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cc2)[nH]1
InChIInChI=1S/C29H26N8O2/c38-29-31-19-37(34-29)24-11-6-21(7-12-24)26-17-30-27(35-13-15-39-16-14-35)28-33-23(18-36(26)28)10-9-22-8-5-20-3-1-2-4-25(20)32-22/h1-8,11-12,17-19H,9-10,13-16H2,(H,34,38)
InChIKeyGQEBDTUZNXUBDZ-UHFFFAOYSA-N
XLogP3.44
TPSA106.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.58
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one (CID 86346032) is 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one is O=c1ncn(-c2ccc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cc2)[nH]1.
What is the InChIKey of 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one?
The InChIKey is GQEBDTUZNXUBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O2/c38-29-31-19-37(34-29)24-11-6-21(7-12-24)26-17-30-27(35-13-15-39-16-14-35)28-33-23(18-36(26)28)10-9-22-8-5-20-3-1-2-4-25(20)32-22/h1-8,11-12,17-19H,9-10,13-16H2,(H,34,38).
What are the key properties of 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one?
2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one has a molecular weight of 518.58 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[8-morpholin-4-yl-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-5-yl]phenyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 86346032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).