4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine

C19H23ClN6 — CID 67162133

IUPAC4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1ccc(Cl)cc1N1CCN(c2ncnc3n[nH]c(C(C)C)c23)CC1
InChIInChI=1S/C19H23ClN6/c1-12(2)17-16-18(24-23-17)21-11-22-19(16)26-8-6-25(7-9-26)15-10-14(20)5-4-13(15)3/h4-5,10-12H,6-9H2,1-3H3,(H,21,22,23,24)
InChIKeyGVPKPIYHQSAUFM-UHFFFAOYSA-N
MW370.89 g/mol
LogP3.76
Rot. Bonds3

About 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine

4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 67162133) has the molecular formula C19H23ClN6 and a molecular weight of 370.89 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID67162133
Molecular FormulaC19H23ClN6
Molecular Weight370.89 g/mol
Exact Mass370.17
IUPAC Name4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine
SMILESCc1ccc(Cl)cc1N1CCN(c2ncnc3n[nH]c(C(C)C)c23)CC1
InChIInChI=1S/C19H23ClN6/c1-12(2)17-16-18(24-23-17)21-11-22-19(16)26-8-6-25(7-9-26)15-10-14(20)5-4-13(15)3/h4-5,10-12H,6-9H2,1-3H3,(H,21,22,23,24)
InChIKeyGVPKPIYHQSAUFM-UHFFFAOYSA-N
XLogP3.76
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 8
CID 5327824
3,4-Bis((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327825
3-((3-Chlorophenyl)amino)-4-((3-methylphenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327827
3-((4-Aminophenyl)amino)-4-((3-chlorophenyl)amino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327833
4-(Phenylamino)pyrazolo[3,4-d]pyrimidine deriv. 18
CID 5327834
3-benzylamino-4-(3-chloro-phenylamino)-1H-pyrazolo[3,4-d]pyrimidine
CID 5327835
4-N-(3-chlorophenyl)-3-N-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 5327836
3-(3-aminophenyl)-N-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327844

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine (CID 67162133) is 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine is Cc1ccc(Cl)cc1N1CCN(c2ncnc3n[nH]c(C(C)C)c23)CC1.
What is the InChIKey of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is GVPKPIYHQSAUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6/c1-12(2)17-16-18(24-23-17)21-11-22-19(16)26-8-6-25(7-9-26)15-10-14(20)5-4-13(15)3/h4-5,10-12H,6-9H2,1-3H3,(H,21,22,23,24).
What are the key properties of 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine?
4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 370.89 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-propan-2-yl-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 67162133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).