N-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide

C20H23ClN6O — CID 53196592

IUPACN-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)Cn1ncc2c(N3CCC(C)CC3)ncnc21
InChIInChI=1S/C20H23ClN6O/c1-13-5-7-26(8-6-13)19-16-10-24-27(20(16)23-12-22-19)11-18(28)25-17-4-3-15(21)9-14(17)2/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,25,28)
InChIKeyXETTZTQBGSEKAG-UHFFFAOYSA-N
MW398.90 g/mol
LogP3.66
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide

N-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide (PubChem CID 53196592) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
PubChem CID53196592
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)Cn1ncc2c(N3CCC(C)CC3)ncnc21
InChIInChI=1S/C20H23ClN6O/c1-13-5-7-26(8-6-13)19-16-10-24-27(20(16)23-12-22-19)11-18(28)25-17-4-3-15(21)9-14(17)2/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,25,28)
InChIKeyXETTZTQBGSEKAG-UHFFFAOYSA-N
XLogP3.66
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196598
N-(2-methylphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196384
N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196614
2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 53196498
N-(4-methylphenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196274
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196229
N-(3,4-dimethylphenyl)-2-[4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide
CID 53196688
N-(4-chloro-2-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014572
1-[1-(4-chloro-2-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 17017352
2-[4-(azepan-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 53196459
N-cycloheptyl-2-(4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196299
N-(2-ethoxyphenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
CID 53196400

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide (CID 53196592) is N-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide is Cc1cc(Cl)ccc1NC(=O)Cn1ncc2c(N3CCC(C)CC3)ncnc21.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
The InChIKey is XETTZTQBGSEKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c1-13-5-7-26(8-6-13)19-16-10-24-27(20(16)23-12-22-19)11-18(28)25-17-4-3-15(21)9-14(17)2/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,25,28).
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide?
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide has a molecular weight of 398.90 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]acetamide is sourced from PubChem (CID 53196592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).