4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide

C13H9ClN4O — CID 14677472

IUPAC4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESNC(=O)c1ncn2c(-c3cccc(Cl)c3)ccnc12
InChIInChI=1S/C13H9ClN4O/c14-9-3-1-2-8(6-9)10-4-5-16-13-11(12(15)19)17-7-18(10)13/h1-7H,(H2,15,19)
InChIKeyOOECPLNQCYDJTJ-UHFFFAOYSA-N
MW272.70 g/mol
LogP2.15
Rot. Bonds2

About 4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide

4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 14677472) has the molecular formula C13H9ClN4O and a molecular weight of 272.70 g/mol. Its IUPAC name is 4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID14677472
Molecular FormulaC13H9ClN4O
Molecular Weight272.70 g/mol
Exact Mass272.05
IUPAC Name4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESNC(=O)c1ncn2c(-c3cccc(Cl)c3)ccnc12
InChIInChI=1S/C13H9ClN4O/c14-9-3-1-2-8(6-9)10-4-5-16-13-11(12(15)19)17-7-18(10)13/h1-7H,(H2,15,19)
InChIKeyOOECPLNQCYDJTJ-UHFFFAOYSA-N
XLogP2.15
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide (CID 14677472) is 4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide is NC(=O)c1ncn2c(-c3cccc(Cl)c3)ccnc12.
What is the InChIKey of 4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is OOECPLNQCYDJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O/c14-9-3-1-2-8(6-9)10-4-5-16-13-11(12(15)19)17-7-18(10)13/h1-7H,(H2,15,19).
What are the key properties of 4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide?
4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 272.70 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 14677472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).