2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline

C23H21ClN4 — CID 4144182

IUPAC2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
SMILESCc1cc(N2CCc3ccccc3C2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C23H21ClN4/c1-15-13-21(27-12-11-17-5-3-4-6-19(17)14-27)28-23(25-15)22(16(2)26-28)18-7-9-20(24)10-8-18/h3-10,13H,11-12,14H2,1-2H3
InChIKeyMAZLZKOMDFLLKY-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.23
Rot. Bonds2

About 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline

2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline (PubChem CID 4144182) has the molecular formula C23H21ClN4 and a molecular weight of 388.90 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
PubChem CID4144182
Molecular FormulaC23H21ClN4
Molecular Weight388.90 g/mol
Exact Mass388.15
IUPAC Name2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
SMILESCc1cc(N2CCc3ccccc3C2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C23H21ClN4/c1-15-13-21(27-12-11-17-5-3-4-6-19(17)14-27)28-23(25-15)22(16(2)26-28)18-7-9-20(24)10-8-18/h3-10,13H,11-12,14H2,1-2H3
InChIKeyMAZLZKOMDFLLKY-UHFFFAOYSA-N
XLogP5.23
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline 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 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline (CID 4144182) is 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline is Cc1cc(N2CCc3ccccc3C2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is MAZLZKOMDFLLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4/c1-15-13-21(27-12-11-17-5-3-4-6-19(17)14-27)28-23(25-15)22(16(2)26-28)18-7-9-20(24)10-8-18/h3-10,13H,11-12,14H2,1-2H3.
What are the key properties of 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline?
2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 388.90 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 4144182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).