1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone

C21H24N6O2 — CID 51134139

IUPAC1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESCC(C)n1ncc2cc(C(=O)N3CCN(C(=O)Cc4ccccn4)CC3)cnc21
InChIInChI=1S/C21H24N6O2/c1-15(2)27-20-16(14-24-27)11-17(13-23-20)21(29)26-9-7-25(8-10-26)19(28)12-18-5-3-4-6-22-18/h3-6,11,13-15H,7-10,12H2,1-2H3
InChIKeyXBCGQJWXYADGTI-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.93
Rot. Bonds4

About 1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone

1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 51134139) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID51134139
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESCC(C)n1ncc2cc(C(=O)N3CCN(C(=O)Cc4ccccn4)CC3)cnc21
InChIInChI=1S/C21H24N6O2/c1-15(2)27-20-16(14-24-27)11-17(13-23-20)21(29)26-9-7-25(8-10-26)19(28)12-18-5-3-4-6-22-18/h3-6,11,13-15H,7-10,12H2,1-2H3
InChIKeyXBCGQJWXYADGTI-UHFFFAOYSA-N
XLogP1.93
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone with MolForge

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Related Compounds

ethyl 4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazine-1-carboxylate
CID 18132052
[4-(2-nitrophenyl)piperazin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 33223757
3,4-dihydro-1H-isoquinolin-2-yl-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 17461214
[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 17482339
(3-phenylpyrrolidin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 146124235
methyl 2-(2-chlorophenyl)-2-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]acetate
CID 46553401
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 120748806
[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55490408
3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]pyridine-2-carboxylic acid
CID 167884691
(3-propan-2-ylimidazo[4,5-b]pyridin-6-yl)-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 176505929
N-(2-methoxyphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24583509
2-pyridin-2-yl-1-[4-[4-(2,2,2-trifluoroethoxy)benzoyl]piperazin-1-yl]ethanone
CID 56521147

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone (CID 51134139) is 1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone is CC(C)n1ncc2cc(C(=O)N3CCN(C(=O)Cc4ccccn4)CC3)cnc21.
What is the InChIKey of 1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is XBCGQJWXYADGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15(2)27-20-16(14-24-27)11-17(13-23-20)21(29)26-9-7-25(8-10-26)19(28)12-18-5-3-4-6-22-18/h3-6,11,13-15H,7-10,12H2,1-2H3.
What are the key properties of 1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 392.46 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 51134139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).