2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid

C27H30N6O4 — CID 86345572

IUPAC2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)CC1
InChIInChI=1S/C27H30N6O4/c34-25(35)17-31-9-7-20(8-10-31)23-15-28-26(32-11-13-36-14-12-32)27-29-21(16-33(23)27)18-37-24-6-5-19-3-1-2-4-22(19)30-24/h1-6,15-16,20H,7-14,17-18H2,(H,34,35)
InChIKeyXYVOSMMXCNDEJY-UHFFFAOYSA-N
MW502.58 g/mol
LogP2.96
Rot. Bonds7

About 2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid

2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid (PubChem CID 86345572) has the molecular formula C27H30N6O4 and a molecular weight of 502.58 g/mol. Its IUPAC name is 2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid
PubChem CID86345572
Molecular FormulaC27H30N6O4
Molecular Weight502.58 g/mol
Exact Mass502.23
IUPAC Name2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)CC1
InChIInChI=1S/C27H30N6O4/c34-25(35)17-31-9-7-20(8-10-31)23-15-28-26(32-11-13-36-14-12-32)27-29-21(16-33(23)27)18-37-24-6-5-19-3-1-2-4-22(19)30-24/h1-6,15-16,20H,7-14,17-18H2,(H,34,35)
InChIKeyXYVOSMMXCNDEJY-UHFFFAOYSA-N
XLogP2.96
TPSA105.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid (CID 86345572) is 2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)CC1.
What is the InChIKey of 2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid?
The InChIKey is XYVOSMMXCNDEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4/c34-25(35)17-31-9-7-20(8-10-31)23-15-28-26(32-11-13-36-14-12-32)27-29-21(16-33(23)27)18-37-24-6-5-19-3-1-2-4-22(19)30-24/h1-6,15-16,20H,7-14,17-18H2,(H,34,35).
What are the key properties of 2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid?
2-[4-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid has a molecular weight of 502.58 g/mol, XLogP of 2.96, 7 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-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 86345572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).