4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide

C26H26ClN5O — CID 166871213

IUPAC4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCc1nn2c(C3CCCN(Cc4ccc(Cl)cc4)C3)ccnc2c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C26H26ClN5O/c1-17-24(19-6-8-20(9-7-19)25(28)33)26-29-13-12-23(32(26)30-17)21-3-2-14-31(16-21)15-18-4-10-22(27)11-5-18/h4-13,21H,2-3,14-16H2,1H3,(H2,28,33)
InChIKeyVXAVXUSVYUJNEX-UHFFFAOYSA-N
MW459.98 g/mol
LogP4.84
Rot. Bonds5

About 4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide

4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide (PubChem CID 166871213) has the molecular formula C26H26ClN5O and a molecular weight of 459.98 g/mol. Its IUPAC name is 4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide
PubChem CID166871213
Molecular FormulaC26H26ClN5O
Molecular Weight459.98 g/mol
Exact Mass459.18
IUPAC Name4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide
SMILESCc1nn2c(C3CCCN(Cc4ccc(Cl)cc4)C3)ccnc2c1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C26H26ClN5O/c1-17-24(19-6-8-20(9-7-19)25(28)33)26-29-13-12-23(32(26)30-17)21-3-2-14-31(16-21)15-18-4-10-22(27)11-5-18/h4-13,21H,2-3,14-16H2,1H3,(H2,28,33)
InChIKeyVXAVXUSVYUJNEX-UHFFFAOYSA-N
XLogP4.84
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.84
H-Bond Donors ≤ 51
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-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methyl-3-pyrimidin-4-ylpyrazolo[1,5-a]pyrimidine
CID 166871258
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-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]propan-2-amine
CID 166871264
[7-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl carbamate
CID 175378483
4-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248794
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)-2-methyl-3-[2-(trifluoromethyl)-4-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 166871092
N-[[7-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
CID 166871237
N-[[7-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1-[(3S)-oxolan-3-yl]methanamine
CID 166871242
N-[[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]methyl]-1-(1-methylsulfonylpiperidin-4-yl)methanamine
CID 166871325
7-(1-benzylpiperidin-3-yl)-2-methyl-3-(3-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 166871452

Frequently Asked Questions

What is the IUPAC name of 4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The IUPAC name of 4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide (CID 166871213) is 4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide.
What is the SMILES notation for 4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The canonical SMILES for 4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide is Cc1nn2c(C3CCCN(Cc4ccc(Cl)cc4)C3)ccnc2c1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
The InChIKey is VXAVXUSVYUJNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O/c1-17-24(19-6-8-20(9-7-19)25(28)33)26-29-13-12-23(32(26)30-17)21-3-2-14-31(16-21)15-18-4-10-22(27)11-5-18/h4-13,21H,2-3,14-16H2,1H3,(H2,28,33).
What are the key properties of 4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide?
4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide has a molecular weight of 459.98 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-3-yl]benzamide is sourced from PubChem (CID 166871213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).