4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

C27H22N8O — CID 86345985

IUPAC4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESC(=C/c1cn2c(-c3cnc4nc[nH]c4c3)cnc(N3CCOCC3)c2n1)\c1ccc2ccccc2n1
InChIInChI=1S/C27H22N8O/c1-2-4-22-18(3-1)5-6-20(32-22)7-8-21-16-35-24(19-13-23-25(28-14-19)31-17-30-23)15-29-26(27(35)33-21)34-9-11-36-12-10-34/h1-8,13-17H,9-12H2,(H,28,30,31)/b8-7+
InChIKeyYJLCFMJRYGPXHR-BQYQJAHWSA-N
MW474.53 g/mol
LogP4.22
Rot. Bonds4

About 4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 86345985) has the molecular formula C27H22N8O and a molecular weight of 474.53 g/mol. Its IUPAC name is 4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID86345985
Molecular FormulaC27H22N8O
Molecular Weight474.53 g/mol
Exact Mass474.19
IUPAC Name4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESC(=C/c1cn2c(-c3cnc4nc[nH]c4c3)cnc(N3CCOCC3)c2n1)\c1ccc2ccccc2n1
InChIInChI=1S/C27H22N8O/c1-2-4-22-18(3-1)5-6-20(32-22)7-8-21-16-35-24(19-13-23-25(28-14-19)31-17-30-23)15-29-26(27(35)33-21)34-9-11-36-12-10-34/h1-8,13-17H,9-12H2,(H,28,30,31)/b8-7+
InChIKeyYJLCFMJRYGPXHR-BQYQJAHWSA-N
XLogP4.22
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 86345985) is 4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is C(=C/c1cn2c(-c3cnc4nc[nH]c4c3)cnc(N3CCOCC3)c2n1)\c1ccc2ccccc2n1.
What is the InChIKey of 4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is YJLCFMJRYGPXHR-BQYQJAHWSA-N. The full InChI is InChI=1S/C27H22N8O/c1-2-4-22-18(3-1)5-6-20(32-22)7-8-21-16-35-24(19-13-23-25(28-14-19)31-17-30-23)15-29-26(27(35)33-21)34-9-11-36-12-10-34/h1-8,13-17H,9-12H2,(H,28,30,31)/b8-7+.
What are the key properties of 4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 474.53 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1H-imidazo[4,5-b]pyridin-6-yl)-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 86345985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).