4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine

C24H25ClN6 — CID 661985

IUPAC4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(Cn2ncc3c(N4CCN(Cc5ccc(Cl)cc5)CC4)ncnc32)cc1
InChIInChI=1S/C24H25ClN6/c1-18-2-4-20(5-3-18)16-31-24-22(14-28-31)23(26-17-27-24)30-12-10-29(11-13-30)15-19-6-8-21(25)9-7-19/h2-9,14,17H,10-13,15-16H2,1H3
InChIKeyAPNRYKWFRXKNKR-UHFFFAOYSA-N
MW432.96 g/mol
LogP4.16
Rot. Bonds5

About 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine

4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 661985) has the molecular formula C24H25ClN6 and a molecular weight of 432.96 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine
PubChem CID661985
Molecular FormulaC24H25ClN6
Molecular Weight432.96 g/mol
Exact Mass432.18
IUPAC Name4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(Cn2ncc3c(N4CCN(Cc5ccc(Cl)cc5)CC4)ncnc32)cc1
InChIInChI=1S/C24H25ClN6/c1-18-2-4-20(5-3-18)16-31-24-22(14-28-31)23(26-17-27-24)30-12-10-29(11-13-30)15-19-6-8-21(25)9-7-19/h2-9,14,17H,10-13,15-16H2,1H3
InChIKeyAPNRYKWFRXKNKR-UHFFFAOYSA-N
XLogP4.16
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.96
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine (CID 661985) is 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine is Cc1ccc(Cn2ncc3c(N4CCN(Cc5ccc(Cl)cc5)CC4)ncnc32)cc1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is APNRYKWFRXKNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6/c1-18-2-4-20(5-3-18)16-31-24-22(14-28-31)23(26-17-27-24)30-12-10-29(11-13-30)15-19-6-8-21(25)9-7-19/h2-9,14,17H,10-13,15-16H2,1H3.
What are the key properties of 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine?
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 432.96 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 661985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).