7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine

C25H27N5 — CID 166871452

IUPAC7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cnccc1-c1c(C)nn2c(C3CCCN(Cc4ccccc4)C3)ccnc12
InChIInChI=1S/C25H27N5/c1-18-15-26-12-10-22(18)24-19(2)28-30-23(11-13-27-25(24)30)21-9-6-14-29(17-21)16-20-7-4-3-5-8-20/h3-5,7-8,10-13,15,21H,6,9,14,16-17H2,1-2H3
InChIKeyCOKTWOSXNBGUBK-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.79
Rot. Bonds4

About 7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine

7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 166871452) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
PubChem CID166871452
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cnccc1-c1c(C)nn2c(C3CCCN(Cc4ccccc4)C3)ccnc12
InChIInChI=1S/C25H27N5/c1-18-15-26-12-10-22(18)24-19(2)28-30-23(11-13-27-25(24)30)21-9-6-14-29(17-21)16-20-7-4-3-5-8-20/h3-5,7-8,10-13,15,21H,6,9,14,16-17H2,1-2H3
InChIKeyCOKTWOSXNBGUBK-UHFFFAOYSA-N
XLogP4.79
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(1-benzylpiperidin-3-yl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 166871451
7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 166871092
7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine
CID 166871258
N-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]-N-methyl-1-phenylmethanamine
CID 166871454
N-[[7-(1-benzylpiperidin-3-yl)-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1-[(2R,6S)-2,6-dimethyloxan-4-yl]methanamine
CID 166871346
7-(1-benzylpiperidin-3-yl)-2-(3,5-dichloro-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 166871227
7-[(3S)-1-benzylpiperidin-3-yl]-N,N-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 124975578
4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 166871213
N-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]propan-2-amine
CID 166871264
[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]boronic acid
CID 167436094
1-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]piperidine-4-carboxamide
CID 166871408
N-[[7-(1-benzylpiperidin-3-yl)-2-chloropyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1-(oxan-4-yl)methanamine
CID 166871311

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine (CID 166871452) is 7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine is Cc1cnccc1-c1c(C)nn2c(C3CCCN(Cc4ccccc4)C3)ccnc12.
What is the InChIKey of 7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is COKTWOSXNBGUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c1-18-15-26-12-10-22(18)24-19(2)28-30-23(11-13-27-25(24)30)21-9-6-14-29(17-21)16-20-7-4-3-5-8-20/h3-5,7-8,10-13,15,21H,6,9,14,16-17H2,1-2H3.
What are the key properties of 7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 397.53 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 166871452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).