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

C25H24F3N5 — CID 166871092

IUPAC7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C3CCCN(Cc4ccccc4)C3)ccnc2c1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3N5/c1-17-23(19-9-11-29-22(14-19)25(26,27)28)24-30-12-10-21(33(24)31-17)20-8-5-13-32(16-20)15-18-6-3-2-4-7-18/h2-4,6-7,9-12,14,20H,5,8,13,15-16H2,1H3
InChIKeyYWKCIFBBSJSZLC-UHFFFAOYSA-N
MW451.50 g/mol
LogP5.50
Rot. Bonds4

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

7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 166871092) has the molecular formula C25H24F3N5 and a molecular weight of 451.50 g/mol. Its IUPAC name is 7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
PubChem CID166871092
Molecular FormulaC25H24F3N5
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC Name7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C3CCCN(Cc4ccccc4)C3)ccnc2c1-c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3N5/c1-17-23(19-9-11-29-22(14-19)25(26,27)28)24-30-12-10-21(33(24)31-17)20-8-5-13-32(16-20)15-18-6-3-2-4-7-18/h2-4,6-7,9-12,14,20H,5,8,13,15-16H2,1H3
InChIKeyYWKCIFBBSJSZLC-UHFFFAOYSA-N
XLogP5.50
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.50
LogP ≤ 55.50
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-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 166871452
4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 166871213
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
[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]boronic acid
CID 167436094
7-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 175378504
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
N-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]propan-2-amine
CID 166871264
N'-[7-(1-benzylpiperidin-3-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-N'-methylethane-1,2-diamine
CID 166871134

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 166871092) is 7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine is Cc1nn2c(C3CCCN(Cc4ccccc4)C3)ccnc2c1-c1ccnc(C(F)(F)F)c1.
What is the InChIKey of 7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is YWKCIFBBSJSZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5/c1-17-23(19-9-11-29-22(14-19)25(26,27)28)24-30-12-10-21(33(24)31-17)20-8-5-13-32(16-20)15-18-6-3-2-4-7-18/h2-4,6-7,9-12,14,20H,5,8,13,15-16H2,1H3.
What are the key properties of 7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine?
7-(1-benzylpiperidin-3-yl)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 451.50 g/mol, XLogP of 5.50, 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-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 166871092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).