N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide

C21H23ClN6O2 — CID 31339064

IUPACN-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
SMILESCc1nn(C)c2ncc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)cc12
InChIInChI=1S/C21H23ClN6O2/c1-14-16-11-15(12-23-20(16)26(2)25-14)21(30)28-9-7-27(8-10-28)13-19(29)24-18-6-4-3-5-17(18)22/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,29)
InChIKeyMNYKHYLBZJGVCB-UHFFFAOYSA-N
MW426.91 g/mol
LogP2.33
Rot. Bonds4

About N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide (PubChem CID 31339064) has the molecular formula C21H23ClN6O2 and a molecular weight of 426.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
PubChem CID31339064
Molecular FormulaC21H23ClN6O2
Molecular Weight426.91 g/mol
Exact Mass426.16
IUPAC NameN-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
SMILESCc1nn(C)c2ncc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)cc12
InChIInChI=1S/C21H23ClN6O2/c1-14-16-11-15(12-23-20(16)26(2)25-14)21(30)28-9-7-27(8-10-28)13-19(29)24-18-6-4-3-5-17(18)22/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,29)
InChIKeyMNYKHYLBZJGVCB-UHFFFAOYSA-N
XLogP2.33
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 27860881
N-(2-chlorophenyl)-2-[4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 31333305
methyl (2S)-2-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate
CID 37287107
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
N-(2-chlorophenyl)-2-[4-(quinoxaline-6-carbonyl)piperazin-1-yl]acetamide
CID 9020752
2-[4-(3-aminobenzoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833686
N-(2-chlorophenyl)-2-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
CID 31333538
2-[4-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 30396646
N-(2-chlorophenyl)-2-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetamide
CID 78820815
N-(2-chlorophenyl)-2-[4-(6-oxo-1H-pyrimidine-4-carbonyl)piperazin-1-yl]acetamide
CID 138037299
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-[4-(5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperazin-1-yl]acetamide
CID 39624781

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide (CID 31339064) is N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide is Cc1nn(C)c2ncc(C(=O)N3CCN(CC(=O)Nc4ccccc4Cl)CC3)cc12.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is MNYKHYLBZJGVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O2/c1-14-16-11-15(12-23-20(16)26(2)25-14)21(30)28-9-7-27(8-10-28)13-19(29)24-18-6-4-3-5-17(18)22/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,29).
What are the key properties of N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 426.91 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 31339064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).