6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

C20H26N6 — CID 42670632

IUPAC6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCCc1nc(N2CCN(C)CC2)c2c(C)nn(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C20H26N6/c1-5-17-21-19(25-12-10-24(4)11-13-25)18-15(3)23-26(20(18)22-17)16-8-6-14(2)7-9-16/h6-9H,5,10-13H2,1-4H3
InChIKeyPGNPVGJZBUDWBF-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.75
Rot. Bonds3

About 6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 42670632) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID42670632
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESCCc1nc(N2CCN(C)CC2)c2c(C)nn(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C20H26N6/c1-5-17-21-19(25-12-10-24(4)11-13-25)18-15(3)23-26(20(18)22-17)16-8-6-14(2)7-9-16/h6-9H,5,10-13H2,1-4H3
InChIKeyPGNPVGJZBUDWBF-UHFFFAOYSA-N
XLogP2.75
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42671439
[4-[6-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 42671440
6-ethyl-3-methyl-1-phenyl-4-(4-propylsulfonylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 42671620
1-[4-[6-ethyl-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one
CID 42671510
[4-(6-ethyl-3-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 42671448
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-6-ethyl-1-(4-methoxyphenyl)-3-methylpyrazolo[5,4-d]pyrimidine
CID 42821292
cyclobutyl-[4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42671520
4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-N-phenylpiperazine-1-carboxamide
CID 42671605
2-[[4-[3-methyl-6-[(4-methylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]methyl]phenol
CID 46132794
(2S)-1-[4-[3-methyl-6-[(4-methylphenyl)methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylbutan-1-one
CID 98368682
(2-chlorophenyl)-[4-[1-(2-chlorophenyl)-6-ethyl-3-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 42671471
(E)-1-[4-[1-(4-fluorophenyl)-3-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 42808658

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 42670632) is 6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is CCc1nc(N2CCN(C)CC2)c2c(C)nn(-c3ccc(C)cc3)c2n1.
What is the InChIKey of 6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is PGNPVGJZBUDWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-5-17-21-19(25-12-10-24(4)11-13-25)18-15(3)23-26(20(18)22-17)16-8-6-14(2)7-9-16/h6-9H,5,10-13H2,1-4H3.
What are the key properties of 6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 350.47 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 42670632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).