2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid

C15H18N4O3 — CID 129489773

IUPAC2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCN(C(=O)c2nccn3ccnc23)CC1
InChIInChI=1S/C15H18N4O3/c20-12(21)10-11-2-1-6-19(7-3-11)15(22)13-14-17-5-9-18(14)8-4-16-13/h4-5,8-9,11H,1-3,6-7,10H2,(H,20,21)/t11-/m1/s1
InChIKeyYDAODXZETGQJCQ-LLVKDONJSA-N
MW302.33 g/mol
LogP1.45
Rot. Bonds3

About 2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid

2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid (PubChem CID 129489773) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid
PubChem CID129489773
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCCN(C(=O)c2nccn3ccnc23)CC1
InChIInChI=1S/C15H18N4O3/c20-12(21)10-11-2-1-6-19(7-3-11)15(22)13-14-17-5-9-18(14)8-4-16-13/h4-5,8-9,11H,1-3,6-7,10H2,(H,20,21)/t11-/m1/s1
InChIKeyYDAODXZETGQJCQ-LLVKDONJSA-N
XLogP1.45
TPSA87.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(pyridine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79615008
2-[(4S)-1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 129489418
2-[1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 120950013
(4-amino-3,3-dimethylpiperidin-1-yl)-imidazo[1,2-a]pyrazin-8-ylmethanone
CID 120818058
2-[1-(2,6-difluorobenzoyl)azepan-4-yl]acetic acid
CID 120950031
2-[(4S)-1-(6-methylpyridine-2-carbonyl)azepan-4-yl]acetic acid
CID 129488825
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)azepan-4-yl]acetic acid
CID 120950036
[(4R)-4-(imidazo[1,2-a]pyridin-8-ylmethyl)azepan-1-yl]-[2-(morpholin-4-ylmethyl)phenyl]methanone
CID 124986654
2-[1-(2-chloropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 113227915
2-[1-(3-bromopyridine-2-carbonyl)pyrrolidin-3-yl]acetic acid
CID 107517164
2-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]acetic acid
CID 114037536

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid?
The IUPAC name of 2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid (CID 129489773) is 2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid?
The canonical SMILES for 2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid is O=C(O)C[C@@H]1CCCN(C(=O)c2nccn3ccnc23)CC1.
What is the InChIKey of 2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid?
The InChIKey is YDAODXZETGQJCQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H18N4O3/c20-12(21)10-11-2-1-6-19(7-3-11)15(22)13-14-17-5-9-18(14)8-4-16-13/h4-5,8-9,11H,1-3,6-7,10H2,(H,20,21)/t11-/m1/s1.
What are the key properties of 2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid?
2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-(imidazo[1,2-a]pyrazine-8-carbonyl)azepan-4-yl]acetic acid is sourced from PubChem (CID 129489773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).