2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C17H12FN5O2 — CID 71236487

IUPAC2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCc1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)cn1-c1cccc(F)c1
InChIInChI=1S/C17H12FN5O2/c1-9-21-14(8-23(9)11-4-2-3-10(18)5-11)13-7-20-16-15(22-13)12(6-19-16)17(24)25/h2-8H,1H3,(H,19,20)(H,24,25)
InChIKeyRVBLBVCNOQXMMV-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.96
Rot. Bonds3

About 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 71236487) has the molecular formula C17H12FN5O2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID71236487
Molecular FormulaC17H12FN5O2
Molecular Weight337.31 g/mol
Exact Mass337.10
IUPAC Name2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCc1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)cn1-c1cccc(F)c1
InChIInChI=1S/C17H12FN5O2/c1-9-21-14(8-23(9)11-4-2-3-10(18)5-11)13-7-20-16-15(22-13)12(6-19-16)17(24)25/h2-8H,1H3,(H,19,20)(H,24,25)
InChIKeyRVBLBVCNOQXMMV-UHFFFAOYSA-N
XLogP2.96
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 145965331
CID 145965331
CID 145966929
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CID 145975987
CID 145975987
CID 145977166
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CID 76058
CID 76058
CID 77675
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CID 3040814

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 71236487) is 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is Cc1nc(-c2cnc3[nH]cc(C(=O)O)c3n2)cn1-c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is RVBLBVCNOQXMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2/c1-9-21-14(8-23(9)11-4-2-3-10(18)5-11)13-7-20-16-15(22-13)12(6-19-16)17(24)25/h2-8H,1H3,(H,19,20)(H,24,25).
What are the key properties of 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 337.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)-2-methylimidazol-4-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 71236487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).