5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid

C14H14N6O2 — CID 167773876

IUPAC5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc2nccn2c(N2CCC(n3ccnc3)C2)n1
InChIInChI=1S/C14H14N6O2/c21-13(22)11-7-12-16-3-6-20(12)14(17-11)18-4-1-10(8-18)19-5-2-15-9-19/h2-3,5-7,9-10H,1,4,8H2,(H,21,22)
InChIKeyYJQBVSAATKCZGY-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.08
Rot. Bonds3

About 5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid

5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid (PubChem CID 167773876) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
PubChem CID167773876
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid
SMILESO=C(O)c1cc2nccn2c(N2CCC(n3ccnc3)C2)n1
InChIInChI=1S/C14H14N6O2/c21-13(22)11-7-12-16-3-6-20(12)14(17-11)18-4-1-10(8-18)19-5-2-15-9-19/h2-3,5-7,9-10H,1,4,8H2,(H,21,22)
InChIKeyYJQBVSAATKCZGY-UHFFFAOYSA-N
XLogP1.08
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid (CID 167773876) is 5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid is O=C(O)c1cc2nccn2c(N2CCC(n3ccnc3)C2)n1.
What is the InChIKey of 5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid?
The InChIKey is YJQBVSAATKCZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c21-13(22)11-7-12-16-3-6-20(12)14(17-11)18-4-1-10(8-18)19-5-2-15-9-19/h2-3,5-7,9-10H,1,4,8H2,(H,21,22).
What are the key properties of 5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid?
5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid has a molecular weight of 298.31 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-imidazol-1-ylpyrrolidin-1-yl)imidazo[1,2-c]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 167773876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).