3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid

C15H12FN3O2 — CID 22477605

IUPAC3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid
SMILESO=C(O)CCc1c(-c2ccc(F)cc2)[nH]c2nccnc12
InChIInChI=1S/C15H12FN3O2/c16-10-3-1-9(2-4-10)13-11(5-6-12(20)21)14-15(19-13)18-8-7-17-14/h1-4,7-8H,5-6H2,(H,18,19)(H,20,21)
InChIKeyYXOCECKDUCUKPX-UHFFFAOYSA-N
MW285.28 g/mol
LogP2.78
Rot. Bonds4

About 3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid

3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid (PubChem CID 22477605) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid.

Molecular Properties

Compound Name3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid
PubChem CID22477605
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid
SMILESO=C(O)CCc1c(-c2ccc(F)cc2)[nH]c2nccnc12
InChIInChI=1S/C15H12FN3O2/c16-10-3-1-9(2-4-10)13-11(5-6-12(20)21)14-15(19-13)18-8-7-17-14/h1-4,7-8H,5-6H2,(H,18,19)(H,20,21)
InChIKeyYXOCECKDUCUKPX-UHFFFAOYSA-N
XLogP2.78
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538774
[4-(2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl)phenyl]acetic acid
CID 20887718
2-[3-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]-3-azaspiro[5.5]undecan-9-yl]acetic acid
CID 56603116
2-[4-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-yl]phenyl]cyclohexyl]acetic acid
CID 56959088
[trans-4-({1-[5-(5,6-difluoro-1H-benzimidazol-2-yl)pyridin-2-yl]piperidin-4-yl}oxy)cyclohexyl]acetic acid
CID 71077940
SARS-CoV-2 nsp3-IN-1
CID 164887592
3-[4-[(3-Phenyltriazolo[4,5-d]pyrimidin-5-yl)amino]phenyl]propanoic acid
CID 44448318
3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 44525305
(2S)-2-[(2-benzhydryl-1H-imidazo[4,5-c]pyridin-4-yl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 122392665
4-[2-[3-(Ethylcarbamoylamino)-6-pyridin-3-ylpyrrolo[3,2-b]pyridin-1-yl]-5-methylpyrimidin-4-yl]butanoic acid
CID 127035779
cis-(1R,2S)-2-[1-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperidin-4-yl]cyclohexane-1-carboxylic acid
CID 137641995
2-[4-[1-[5-(4-fluoro-1H-benzimidazol-2-yl)-2-pyridinyl]piperidin-4-yl]oxycyclohexyl]acetic acid
CID 155528366

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid?
The IUPAC name of 3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid (CID 22477605) is 3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid.
What is the SMILES notation for 3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid?
The canonical SMILES for 3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid is O=C(O)CCc1c(-c2ccc(F)cc2)[nH]c2nccnc12.
What is the InChIKey of 3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid?
The InChIKey is YXOCECKDUCUKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c16-10-3-1-9(2-4-10)13-11(5-6-12(20)21)14-15(19-13)18-8-7-17-14/h1-4,7-8H,5-6H2,(H,18,19)(H,20,21).
What are the key properties of 3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid?
3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid has a molecular weight of 285.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-fluorophenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propanoic acid is sourced from PubChem (CID 22477605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).