2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid

C14H11N3O2 — CID 82382044

IUPAC2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cnccc1-c1ccc2cnccn12
InChIInChI=1S/C14H11N3O2/c18-14(19)7-10-8-15-4-3-12(10)13-2-1-11-9-16-5-6-17(11)13/h1-6,8-9H,7H2,(H,18,19)
InChIKeyHENDFNIPAKRIAI-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.02
Rot. Bonds3

About 2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid

2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid (PubChem CID 82382044) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid
PubChem CID82382044
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid
SMILESO=C(O)Cc1cnccc1-c1ccc2cnccn12
InChIInChI=1S/C14H11N3O2/c18-14(19)7-10-8-15-4-3-12(10)13-2-1-11-9-16-5-6-17(11)13/h1-6,8-9H,7H2,(H,18,19)
InChIKeyHENDFNIPAKRIAI-UHFFFAOYSA-N
XLogP2.02
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]acetic acid
CID 84676768
2-(4-propan-2-yl-3-pyridinyl)acetic acid
CID 82409628
1-pyrrolo[1,2-a]pyrazin-6-ylpropan-1-amine
CID 82411061
2-[3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)phenyl]acetic acid
CID 65345310
3-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-methylbutanoic acid
CID 64700768
2-[2-[(3-methyl-4-pyridinyl)oxy]phenyl]acetic acid
CID 80742147
2-[2-(3-ethylimidazol-4-yl)phenyl]acetic acid
CID 115037733
1-(4-pyridin-4-yl-3-pyridinyl)but-3-en-2-one
CID 67850975
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2-yl)acetic acid
CID 66273458
2-([1,2]oxazolo[5,4-c]pyridin-3-yl)acetic acid
CID 84656296
2-imidazo[1,5-a]pyridin-7-ylacetic acid
CID 83827565
3-(3-methyl-4-pyridinyl)propanoic acid
CID 66322322

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid?
The IUPAC name of 2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid (CID 82382044) is 2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid is O=C(O)Cc1cnccc1-c1ccc2cnccn12.
What is the InChIKey of 2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid?
The InChIKey is HENDFNIPAKRIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14(19)7-10-8-15-4-3-12(10)13-2-1-11-9-16-5-6-17(11)13/h1-6,8-9H,7H2,(H,18,19).
What are the key properties of 2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid?
2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid has a molecular weight of 253.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolo[1,2-a]pyrazin-6-yl-3-pyridinyl)acetic acid is sourced from PubChem (CID 82382044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).