N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine

C18H18ClN7 — CID 25016866

IUPACN-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine
SMILESCc1nn(-c2nc(Nc3ccc(Cl)cc3)c3ncn(C)c3n2)c(C)c1C
InChIInChI=1S/C18H18ClN7/c1-10-11(2)24-26(12(10)3)18-22-16(15-17(23-18)25(4)9-20-15)21-14-7-5-13(19)6-8-14/h5-9H,1-4H3,(H,21,22,23)
InChIKeyWQFMOPBXKIKQIA-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.87
Rot. Bonds3

About N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine

N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine (PubChem CID 25016866) has the molecular formula C18H18ClN7 and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine
PubChem CID25016866
Molecular FormulaC18H18ClN7
Molecular Weight367.84 g/mol
Exact Mass367.13
IUPAC NameN-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine
SMILESCc1nn(-c2nc(Nc3ccc(Cl)cc3)c3ncn(C)c3n2)c(C)c1C
InChIInChI=1S/C18H18ClN7/c1-10-11(2)24-26(12(10)3)18-22-16(15-17(23-18)25(4)9-20-15)21-14-7-5-13(19)6-8-14/h5-9H,1-4H3,(H,21,22,23)
InChIKeyWQFMOPBXKIKQIA-UHFFFAOYSA-N
XLogP3.87
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine 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 N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine?
The IUPAC name of N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine (CID 25016866) is N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine.
What is the SMILES notation for N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine?
The canonical SMILES for N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine is Cc1nn(-c2nc(Nc3ccc(Cl)cc3)c3ncn(C)c3n2)c(C)c1C.
What is the InChIKey of N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine?
The InChIKey is WQFMOPBXKIKQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN7/c1-10-11(2)24-26(12(10)3)18-22-16(15-17(23-18)25(4)9-20-15)21-14-7-5-13(19)6-8-14/h5-9H,1-4H3,(H,21,22,23).
What are the key properties of N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine?
N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine has a molecular weight of 367.84 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-9-methyl-2-(3,4,5-trimethylpyrazol-1-yl)purin-6-amine is sourced from PubChem (CID 25016866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).