5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one

C21H23N5O2 — CID 70755027

IUPAC5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one
SMILESCc1cc(C(=O)N2CC(=O)N(c3ccccc3)CC2C)c2c(C)nn(C)c2n1
InChIInChI=1S/C21H23N5O2/c1-13-10-17(19-15(3)23-24(4)20(19)22-13)21(28)25-12-18(27)26(11-14(25)2)16-8-6-5-7-9-16/h5-10,14H,11-12H2,1-4H3
InChIKeyOECJUOQJKPSVHH-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.46
Rot. Bonds2

About 5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one

5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one (PubChem CID 70755027) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one
PubChem CID70755027
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one
SMILESCc1cc(C(=O)N2CC(=O)N(c3ccccc3)CC2C)c2c(C)nn(C)c2n1
InChIInChI=1S/C21H23N5O2/c1-13-10-17(19-15(3)23-24(4)20(19)22-13)21(28)25-12-18(27)26(11-14(25)2)16-8-6-5-7-9-16/h5-10,14H,11-12H2,1-4H3
InChIKeyOECJUOQJKPSVHH-UHFFFAOYSA-N
XLogP2.46
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one
CID 96577698
(4-cyclopropyl-2-methylpiperazin-1-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 162628135
5-methyl-4-(4-methyl-2-phenylpyrimidine-5-carbonyl)-1-phenylpiperazin-2-one
CID 70777651
N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbohydrazide
CID 34058388
(3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-[(3R,5R)-3,5-dimethylpiperidin-1-yl]methanone
CID 92665225
[4-(3-methylphenyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16609903
(3R,4R)-4-hydroxy-1-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 165423721
[(3S)-3-(2-methylphenyl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95331641
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 42937974
[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95331642
[(3R)-3-hydroxypyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 111561787
piperidin-1-yl-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 16620882

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one?
The IUPAC name of 5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one (CID 70755027) is 5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one is Cc1cc(C(=O)N2CC(=O)N(c3ccccc3)CC2C)c2c(C)nn(C)c2n1.
What is the InChIKey of 5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one?
The InChIKey is OECJUOQJKPSVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-13-10-17(19-15(3)23-24(4)20(19)22-13)21(28)25-12-18(27)26(11-14(25)2)16-8-6-5-7-9-16/h5-10,14H,11-12H2,1-4H3.
What are the key properties of 5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one?
5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one has a molecular weight of 377.45 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-4-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 70755027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).