2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide

C24H30ClN7O — CID 110122697

IUPAC2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CN2CCCCC2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C
InChIInChI=1S/C24H30ClN7O/c1-16-20(14-27-31(16)4)28-22(33)15-32-11-6-5-10-21(32)23-19(13-26-24(29-23)30(2)3)17-8-7-9-18(25)12-17/h7-9,12-14,21H,5-6,10-11,15H2,1-4H3,(H,28,33)
InChIKeySVQTUCFZLYWTJK-UHFFFAOYSA-N
MW468.01 g/mol
LogP4.07
Rot. Bonds6

About 2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide

2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide (PubChem CID 110122697) has the molecular formula C24H30ClN7O and a molecular weight of 468.01 g/mol. Its IUPAC name is 2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
PubChem CID110122697
Molecular FormulaC24H30ClN7O
Molecular Weight468.01 g/mol
Exact Mass467.22
IUPAC Name2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide
SMILESCc1c(NC(=O)CN2CCCCC2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C
InChIInChI=1S/C24H30ClN7O/c1-16-20(14-27-31(16)4)28-22(33)15-32-11-6-5-10-21(32)23-19(13-26-24(29-23)30(2)3)17-8-7-9-18(25)12-17/h7-9,12-14,21H,5-6,10-11,15H2,1-4H3,(H,28,33)
InChIKeySVQTUCFZLYWTJK-UHFFFAOYSA-N
XLogP4.07
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.01
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 110152895
[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 110266357
3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1,3-dimethylpyrazol-4-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
CID 124973284
3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
CID 124990633
1-[(2R)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 95836572
[(2S)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 92616092
[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 110266148
[(2S)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 92617774
[(2R)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 92617994
5-[2-[(2R)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 124948559
3-[2-(dimethylamino)-4-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
CID 110122693
(2R)-2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 92616167

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide (CID 110122697) is 2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide is Cc1c(NC(=O)CN2CCCCC2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cnn1C.
What is the InChIKey of 2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
The InChIKey is SVQTUCFZLYWTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN7O/c1-16-20(14-27-31(16)4)28-22(33)15-32-11-6-5-10-21(32)23-19(13-26-24(29-23)30(2)3)17-8-7-9-18(25)12-17/h7-9,12-14,21H,5-6,10-11,15H2,1-4H3,(H,28,33).
What are the key properties of 2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide?
2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide has a molecular weight of 468.01 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(3-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-N-(1,5-dimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 110122697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).