4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

C28H25N9O — CID 123133242

IUPAC4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(CCc3cn4c(-c5ccc(-c6ncn[nH]6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1
InChIInChI=1S/C28H25N9O/c1-2-4-23-19(3-1)5-7-21(33-23)8-9-22-17-37-25(20-6-10-24(29-15-20)26-31-18-32-35-26)16-30-27(28(37)34-22)36-11-13-38-14-12-36/h1-7,10,15-18H,8-9,11-14H2,(H,31,32,35)
InChIKeyIECDZHPSCIBLGL-UHFFFAOYSA-N
MW503.57 g/mol
LogP3.75
Rot. Bonds6

About 4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 123133242) has the molecular formula C28H25N9O and a molecular weight of 503.57 g/mol. Its IUPAC name is 4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID123133242
Molecular FormulaC28H25N9O
Molecular Weight503.57 g/mol
Exact Mass503.22
IUPAC Name4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(CCc3cn4c(-c5ccc(-c6ncn[nH]6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1
InChIInChI=1S/C28H25N9O/c1-2-4-23-19(3-1)5-7-21(33-23)8-9-22-17-37-25(20-6-10-24(29-15-20)26-31-18-32-35-26)16-30-27(28(37)34-22)36-11-13-38-14-12-36/h1-7,10,15-18H,8-9,11-14H2,(H,31,32,35)
InChIKeyIECDZHPSCIBLGL-UHFFFAOYSA-N
XLogP3.75
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 123133242) is 4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is c1ccc2nc(CCc3cn4c(-c5ccc(-c6ncn[nH]6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1.
What is the InChIKey of 4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is IECDZHPSCIBLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N9O/c1-2-4-23-19(3-1)5-7-21(33-23)8-9-22-17-37-25(20-6-10-24(29-15-20)26-31-18-32-35-26)16-30-27(28(37)34-22)36-11-13-38-14-12-36/h1-7,10,15-18H,8-9,11-14H2,(H,31,32,35).
What are the key properties of 4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 503.57 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-quinolin-2-ylethyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 123133242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).