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

C27H25N7O4 — CID 86345774

IUPAC2-[[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid
SMILESO=C(O)CNc1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cn1
InChIInChI=1S/C27H25N7O4/c35-25(36)15-29-23-7-5-19(13-28-23)22-14-30-26(33-9-11-37-12-10-33)27-31-20(16-34(22)27)17-38-24-8-6-18-3-1-2-4-21(18)32-24/h1-8,13-14,16H,9-12,15,17H2,(H,28,29)(H,35,36)
InChIKeyBABWOKIWSMXDMB-UHFFFAOYSA-N
MW511.54 g/mol
LogP3.25
Rot. Bonds8

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

2-[[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid (PubChem CID 86345774) has the molecular formula C27H25N7O4 and a molecular weight of 511.54 g/mol. Its IUPAC name is 2-[[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid
PubChem CID86345774
Molecular FormulaC27H25N7O4
Molecular Weight511.54 g/mol
Exact Mass511.20
IUPAC Name2-[[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid
SMILESO=C(O)CNc1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cn1
InChIInChI=1S/C27H25N7O4/c35-25(36)15-29-23-7-5-19(13-28-23)22-14-30-26(33-9-11-37-12-10-33)27-31-20(16-34(22)27)17-38-24-8-6-18-3-1-2-4-21(18)32-24/h1-8,13-14,16H,9-12,15,17H2,(H,28,29)(H,35,36)
InChIKeyBABWOKIWSMXDMB-UHFFFAOYSA-N
XLogP3.25
TPSA127.00 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.54
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid?
The IUPAC name of 2-[[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid (CID 86345774) is 2-[[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)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-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid?
The canonical SMILES for 2-[[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid is O=C(O)CNc1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cn1.
What is the InChIKey of 2-[[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid?
The InChIKey is BABWOKIWSMXDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O4/c35-25(36)15-29-23-7-5-19(13-28-23)22-14-30-26(33-9-11-37-12-10-33)27-31-20(16-34(22)27)17-38-24-8-6-18-3-1-2-4-21(18)32-24/h1-8,13-14,16H,9-12,15,17H2,(H,28,29)(H,35,36).
What are the key properties of 2-[[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid?
2-[[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid has a molecular weight of 511.54 g/mol, XLogP of 3.25, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[8-morpholin-4-yl-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-5-yl]-2-pyridinyl]amino]acetic acid is sourced from PubChem (CID 86345774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).