[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C20H27N5O3 — CID 55483658

IUPAC[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H27N5O3/c1-13(2)25-18-15(12-21-25)11-16(14(3)22-18)19(26)23-6-8-24(9-7-23)20(27)17-5-4-10-28-17/h11-13,17H,4-10H2,1-3H3
InChIKeyHKUFUNNXDWYAJQ-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.78
Rot. Bonds3

About [4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 55483658) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is [4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID55483658
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H27N5O3/c1-13(2)25-18-15(12-21-25)11-16(14(3)22-18)19(26)23-6-8-24(9-7-23)20(27)17-5-4-10-28-17/h11-13,17H,4-10H2,1-3H3
InChIKeyHKUFUNNXDWYAJQ-UHFFFAOYSA-N
XLogP1.78
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18131924
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 136557477
(4-methoxypiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 56810635
[4-(aminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 119422908
[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]-phenylmethanone
CID 41310175
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 56821394
[3-(1-aminoethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119592769
N-[1-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperidin-4-yl]benzamide
CID 33309444
4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)morpholine-3-carboxylic acid
CID 120521790
6-methyl-N-[4-(oxolane-2-carbonylamino)-2-(trifluoromethyl)phenyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 55782305
N'-acetyl-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbohydrazide
CID 43067938
(2R)-2-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 98273173

Frequently Asked Questions

What is the IUPAC name of [4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 55483658) is [4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is HKUFUNNXDWYAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-13(2)25-18-15(12-21-25)11-16(14(3)22-18)19(26)23-6-8-24(9-7-23)20(27)17-5-4-10-28-17/h11-13,17H,4-10H2,1-3H3.
What are the key properties of [4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 385.47 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 55483658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).