2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid

C28H25N7O3 — CID 86346076

IUPAC2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid
SMILESO=C(O)CNc1ccc(-c2cnc(N3CCOCC3)c3nc(/C=C/c4ccc5ccccc5n4)cn23)cn1
InChIInChI=1S/C28H25N7O3/c36-26(37)17-30-25-10-6-20(15-29-25)24-16-31-27(34-11-13-38-14-12-34)28-33-22(18-35(24)28)9-8-21-7-5-19-3-1-2-4-23(19)32-21/h1-10,15-16,18H,11-14,17H2,(H,29,30)(H,36,37)/b9-8+
InChIKeyKERXXLCVFSFPML-CMDGGOBGSA-N
MW507.55 g/mol
LogP3.84
Rot. Bonds7

About 2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid

2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid (PubChem CID 86346076) has the molecular formula C28H25N7O3 and a molecular weight of 507.55 g/mol. Its IUPAC name is 2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid
PubChem CID86346076
Molecular FormulaC28H25N7O3
Molecular Weight507.55 g/mol
Exact Mass507.20
IUPAC Name2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid
SMILESO=C(O)CNc1ccc(-c2cnc(N3CCOCC3)c3nc(/C=C/c4ccc5ccccc5n4)cn23)cn1
InChIInChI=1S/C28H25N7O3/c36-26(37)17-30-25-10-6-20(15-29-25)24-16-31-27(34-11-13-38-14-12-34)28-33-22(18-35(24)28)9-8-21-7-5-19-3-1-2-4-23(19)32-21/h1-10,15-16,18H,11-14,17H2,(H,29,30)(H,36,37)/b9-8+
InChIKeyKERXXLCVFSFPML-CMDGGOBGSA-N
XLogP3.84
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.55
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid (CID 86346076) is 2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid is O=C(O)CNc1ccc(-c2cnc(N3CCOCC3)c3nc(/C=C/c4ccc5ccccc5n4)cn23)cn1.
What is the InChIKey of 2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid?
The InChIKey is KERXXLCVFSFPML-CMDGGOBGSA-N. The full InChI is InChI=1S/C28H25N7O3/c36-26(37)17-30-25-10-6-20(15-29-25)24-16-31-27(34-11-13-38-14-12-34)28-33-22(18-35(24)28)9-8-21-7-5-19-3-1-2-4-23(19)32-21/h1-10,15-16,18H,11-14,17H2,(H,29,30)(H,36,37)/b9-8+.
What are the key properties of 2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid?
2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid has a molecular weight of 507.55 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[8-morpholin-4-yl-2-[(E)-2-quinolin-2-ylethenyl]imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 86346076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).