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

C20H25N5 — CID 3659259

IUPAC4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(Cn2ncc3c(N4CC(C)CC(C)C4)ncnc32)cc1
InChIInChI=1S/C20H25N5/c1-14-4-6-17(7-5-14)12-25-20-18(9-23-25)19(21-13-22-20)24-10-15(2)8-16(3)11-24/h4-7,9,13,15-16H,8,10-12H2,1-3H3
InChIKeyKQUHRRWPAODPTP-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.67
Rot. Bonds3

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

4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 3659259) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine
PubChem CID3659259
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine
SMILESCc1ccc(Cn2ncc3c(N4CC(C)CC(C)C4)ncnc32)cc1
InChIInChI=1S/C20H25N5/c1-14-4-6-17(7-5-14)12-25-20-18(9-23-25)19(21-13-22-20)24-10-15(2)8-16(3)11-24/h4-7,9,13,15-16H,8,10-12H2,1-3H3
InChIKeyKQUHRRWPAODPTP-UHFFFAOYSA-N
XLogP3.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 27825659
4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 3756032
[1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 930618
N-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 930210
N,N-diethyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-amine
CID 930586
1-benzyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 84818538
1-(3-chlorophenyl)-4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 41106071
3-[1-[1-[(4-methoxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-yl]azetidin-3-yl]oxybenzonitrile
CID 56605422
N-(4-methylphenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196274
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 16617318
1-benzyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]pyrazolo[5,4-d]pyrimidine
CID 7773711
1-[(3-ethoxyphenyl)methyl]-4-(4-hydroxypiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 142925913

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine (CID 3659259) is 4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine is Cc1ccc(Cn2ncc3c(N4CC(C)CC(C)C4)ncnc32)cc1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is KQUHRRWPAODPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-14-4-6-17(7-5-14)12-25-20-18(9-23-25)19(21-13-22-20)24-10-15(2)8-16(3)11-24/h4-7,9,13,15-16H,8,10-12H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine?
4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 335.46 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-1-[(4-methylphenyl)methyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 3659259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).