N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide

C23H30N6O — CID 87013788

IUPACN-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1
InChIInChI=1S/C23H30N6O/c1-16-6-5-7-17(2)22(16)25-21(30)15-29-10-8-28(9-11-29)14-19-12-20-18(3)26-27(4)23(20)24-13-19/h5-7,12-13H,8-11,14-15H2,1-4H3,(H,25,30)
InChIKeyHFNKJHJLJRHESA-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.65
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 87013788) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID87013788
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1
InChIInChI=1S/C23H30N6O/c1-16-6-5-7-17(2)22(16)25-21(30)15-29-10-8-28(9-11-29)14-19-12-20-18(3)26-27(4)23(20)24-13-19/h5-7,12-13H,8-11,14-15H2,1-4H3,(H,25,30)
InChIKeyHFNKJHJLJRHESA-UHFFFAOYSA-N
XLogP2.65
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 87015876
3-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzoic acid
CID 122028519
N-(2,6-dimethylphenyl)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)carbamoyl-methylamino]acetamide
CID 86993944
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-piperazin-1-ylacetamide
CID 60850378
1,3-dimethyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 34452654
N-(2-chlorophenyl)-2-[4-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetamide
CID 31339064
1-[2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-3,4-dihydro-1H-isoquinolin-5-yl]-3-(2-fluorophenyl)urea
CID 86936846
1,3-dimethyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrazolo[5,4-b]pyridine
CID 87013100
1,3-dimethyl-N-[4-(morpholin-4-ylmethyl)phenyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 86917104
2-[4-[(5-methyl-3-pyridinyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 166602045
2-(4-benzylpiperazin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36845381
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide (CID 87013788) is N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide is Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cnc3c(c2)c(C)nn3C)CC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is HFNKJHJLJRHESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-16-6-5-7-17(2)22(16)25-21(30)15-29-10-8-28(9-11-29)14-19-12-20-18(3)26-27(4)23(20)24-13-19/h5-7,12-13H,8-11,14-15H2,1-4H3,(H,25,30).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 87013788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).