2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid

C19H17N3O4 — CID 70659713

IUPAC2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2ccccc2o1
InChIInChI=1S/C19H17N3O4/c1-10(2)22(3)17-16(14-8-11-6-4-5-7-13(11)25-14)20-12-9-15(19(23)24)26-18(12)21-17/h4-10H,1-3H3,(H,23,24)
InChIKeyCRLCDCGNUOYQKH-UHFFFAOYSA-N
MW351.36 g/mol
LogP4.18
Rot. Bonds4

About 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid

2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid (PubChem CID 70659713) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid
PubChem CID70659713
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid
SMILESCC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2ccccc2o1
InChIInChI=1S/C19H17N3O4/c1-10(2)22(3)17-16(14-8-11-6-4-5-7-13(11)25-14)20-12-9-15(19(23)24)26-18(12)21-17/h4-10H,1-3H3,(H,23,24)
InChIKeyCRLCDCGNUOYQKH-UHFFFAOYSA-N
XLogP4.18
TPSA92.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid (CID 70659713) is 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid is CC(C)N(C)c1nc2oc(C(=O)O)cc2nc1-c1cc2ccccc2o1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid?
The InChIKey is CRLCDCGNUOYQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-10(2)22(3)17-16(14-8-11-6-4-5-7-13(11)25-14)20-12-9-15(19(23)24)26-18(12)21-17/h4-10H,1-3H3,(H,23,24).
What are the key properties of 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid?
2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid has a molecular weight of 351.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-[methyl(propan-2-yl)amino]furo[2,3-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 70659713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).