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

C28H23N9O — CID 123632757

IUPAC4-[2-(2-quinolin-2-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESC(=Cc1cn2c(-c3ccc(-c4ncn[nH]4)nc3)cnc(N3CCOCC3)c2n1)c1ccc2ccccc2n1
InChIInChI=1S/C28H23N9O/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/h1-10,15-18H,11-14H2,(H,31,32,35)
InChIKeyVQAVMTBFFVTIKL-UHFFFAOYSA-N
MW501.55 g/mol
LogP4.13
Rot. Bonds5

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

4-[2-(2-quinolin-2-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 123632757) has the molecular formula C28H23N9O and a molecular weight of 501.55 g/mol. Its IUPAC name is 4-[2-(2-quinolin-2-ylethenyl)-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-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID123632757
Molecular FormulaC28H23N9O
Molecular Weight501.55 g/mol
Exact Mass501.20
IUPAC Name4-[2-(2-quinolin-2-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESC(=Cc1cn2c(-c3ccc(-c4ncn[nH]4)nc3)cnc(N3CCOCC3)c2n1)c1ccc2ccccc2n1
InChIInChI=1S/C28H23N9O/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/h1-10,15-18H,11-14H2,(H,31,32,35)
InChIKeyVQAVMTBFFVTIKL-UHFFFAOYSA-N
XLogP4.13
TPSA110.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.55
LogP ≤ 54.13
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-ylethenyl)-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-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 123632757) is 4-[2-(2-quinolin-2-ylethenyl)-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-ylethenyl)-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-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is C(=Cc1cn2c(-c3ccc(-c4ncn[nH]4)nc3)cnc(N3CCOCC3)c2n1)c1ccc2ccccc2n1.
What is the InChIKey of 4-[2-(2-quinolin-2-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is VQAVMTBFFVTIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N9O/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/h1-10,15-18H,11-14H2,(H,31,32,35).
What are the key properties of 4-[2-(2-quinolin-2-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[2-(2-quinolin-2-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 501.55 g/mol, XLogP of 4.13, 5 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-ylethenyl)-5-[6-(1H-1,2,4-triazol-5-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 123632757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).