7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine

C26H28N4O — CID 4896448

IUPAC7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1cnn2c(N3CCC(Cc4ccccc4)CC3)cc(C)nc12
InChIInChI=1S/C26H28N4O/c1-19-16-25(29-14-12-21(13-15-29)17-20-8-4-3-5-9-20)30-26(28-19)23(18-27-30)22-10-6-7-11-24(22)31-2/h3-11,16,18,21H,12-15,17H2,1-2H3
InChIKeyCKTIFAITLSTYLF-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.17
Rot. Bonds5

About 7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine

7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 4896448) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID4896448
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccccc1-c1cnn2c(N3CCC(Cc4ccccc4)CC3)cc(C)nc12
InChIInChI=1S/C26H28N4O/c1-19-16-25(29-14-12-21(13-15-29)17-20-8-4-3-5-9-20)30-26(28-19)23(18-27-30)22-10-6-7-11-24(22)31-2/h3-11,16,18,21H,12-15,17H2,1-2H3
InChIKeyCKTIFAITLSTYLF-UHFFFAOYSA-N
XLogP5.17
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(4-benzylpiperidin-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3615753
7-(4-benzylpiperazin-1-yl)-5-methyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 8741379
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
ethyl 4-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]piperazine-1-carboxylate
CID 4179581
2-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 112925846
4-(4-benzylpiperidin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112925823
4-(4-benzylpiperidin-1-yl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 112909489
3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 4871516
1-[4-(2-methoxyphenyl)-6-methylpyrimidin-2-yl]pyrrolidin-3-amine
CID 82191849
2-(4-benzylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine;hydrochloride
CID 45259798
7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 46299153
7-[4-[(2,4-dimethylphenyl)methyl]piperazin-4-ium-1-yl]-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 2045013

Frequently Asked Questions

What is the IUPAC name of 7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine (CID 4896448) is 7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine is COc1ccccc1-c1cnn2c(N3CCC(Cc4ccccc4)CC3)cc(C)nc12.
What is the InChIKey of 7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is CKTIFAITLSTYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-19-16-25(29-14-12-21(13-15-29)17-20-8-4-3-5-9-20)30-26(28-19)23(18-27-30)22-10-6-7-11-24(22)31-2/h3-11,16,18,21H,12-15,17H2,1-2H3.
What are the key properties of 7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 412.54 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-benzylpiperidin-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4896448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).