(2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

C22H27N5O — CID 120572825

IUPAC(2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCC1NCCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)C1C
InChIInChI=1S/C22H27N5O/c1-14(2)27-21-19(13-24-27)18(12-20(25-21)17-8-6-5-7-9-17)22(28)26-11-10-23-15(3)16(26)4/h5-9,12-16,23H,10-11H2,1-4H3
InChIKeyUZLVWZOXFOCPPV-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.50
Rot. Bonds3

About (2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone

(2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (PubChem CID 120572825) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
PubChem CID120572825
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name(2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
SMILESCC1NCCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)C1C
InChIInChI=1S/C22H27N5O/c1-14(2)27-21-19(13-24-27)18(12-20(25-21)17-8-6-5-7-9-17)22(28)26-11-10-23-15(3)16(26)4/h5-9,12-16,23H,10-11H2,1-4H3
InChIKeyUZLVWZOXFOCPPV-UHFFFAOYSA-N
XLogP3.50
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone with MolForge

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Related Compounds

(2,3-dimethylpiperazin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 120571860
(2R)-1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120537313
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)ethanone
CID 59373559
1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxamide
CID 32978575
(4-ethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 78791094
2-[(2R)-1-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidin-2-yl]acetamide
CID 97211737
(2,3-dimethylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 120569390
1-[6-(4-methylphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119355904
(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112800014
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 134024042
6-phenyl-1-propan-2-yl-N-pyrrolidin-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 119452068
[3-(1-aminoethyl)piperidin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 119594956

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone (CID 120572825) is (2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is CC1NCCN(C(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)C1C.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
The InChIKey is UZLVWZOXFOCPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-14(2)27-21-19(13-24-27)18(12-20(25-21)17-8-6-5-7-9-17)22(28)26-11-10-23-15(3)16(26)4/h5-9,12-16,23H,10-11H2,1-4H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone?
(2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 120572825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).