[(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone

C22H21ClN4O — CID 7370409

IUPAC[(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone
SMILESCc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1
InChIInChI=1S/C22H21ClN4O/c1-14-2-4-15(5-3-14)19-12-20(16-8-10-18(23)11-9-16)27-22(24-13-25-27)26(19)21(28)17-6-7-17/h2-5,8-11,13,17,19-20H,6-7,12H2,1H3/t19-,20-/m1/s1
InChIKeyNZQBEVHEADFVJJ-WOJBJXKFSA-N
MW392.89 g/mol
LogP4.72
Rot. Bonds3

About [(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone

[(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone (PubChem CID 7370409) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is [(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone
PubChem CID7370409
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name[(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone
SMILESCc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1
InChIInChI=1S/C22H21ClN4O/c1-14-2-4-15(5-3-14)19-12-20(16-8-10-18(23)11-9-16)27-22(24-13-25-27)26(19)21(28)17-6-7-17/h2-5,8-11,13,17,19-20H,6-7,12H2,1H3/t19-,20-/m1/s1
InChIKeyNZQBEVHEADFVJJ-WOJBJXKFSA-N
XLogP4.72
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone?
The IUPAC name of [(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone (CID 7370409) is [(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone.
What is the SMILES notation for [(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone?
The canonical SMILES for [(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone is Cc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)C2CC2)cc1.
What is the InChIKey of [(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone?
The InChIKey is NZQBEVHEADFVJJ-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-14-2-4-15(5-3-14)19-12-20(16-8-10-18(23)11-9-16)27-22(24-13-25-27)26(19)21(28)17-6-7-17/h2-5,8-11,13,17,19-20H,6-7,12H2,1H3/t19-,20-/m1/s1.
What are the key properties of [(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone?
[(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone has a molecular weight of 392.89 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,7R)-7-(4-chlorophenyl)-5-(4-methylphenyl)-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]-cyclopropylmethanone is sourced from PubChem (CID 7370409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).