(3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone

C23H28N4O — CID 19589193

IUPAC(3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCCC2c2ccccc2)c2c(C)nn(C(C)C)c2n1
InChIInChI=1S/C23H28N4O/c1-15(2)27-22-21(17(4)25-27)19(14-16(3)24-22)23(28)26-13-9-8-12-20(26)18-10-6-5-7-11-18/h5-7,10-11,14-15,20H,8-9,12-13H2,1-4H3
InChIKeyMDWIJKMAUGLWIP-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.00
Rot. Bonds3

About (3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone

(3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone (PubChem CID 19589193) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone
PubChem CID19589193
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCCC2c2ccccc2)c2c(C)nn(C(C)C)c2n1
InChIInChI=1S/C23H28N4O/c1-15(2)27-22-21(17(4)25-27)19(14-16(3)24-22)23(28)26-13-9-8-12-20(26)18-10-6-5-7-11-18/h5-7,10-11,14-15,20H,8-9,12-13H2,1-4H3
InChIKeyMDWIJKMAUGLWIP-UHFFFAOYSA-N
XLogP5.00
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19619986
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 78885056
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95309286
2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-1-(2-phenylpiperidin-1-yl)ethanone
CID 19504006
azepan-1-yl-(3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 20927958
[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95280694
(5-amino-2-methyl-3-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61039723
[3-methyl-6-(1-methylpyrazol-4-yl)-[1,2]oxazolo[5,4-b]pyridin-4-yl]-[(2R)-2-phenylpiperidin-1-yl]methanone
CID 51855317
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 46514691
phenyl-(2-phenylpiperidin-1-yl)methanone;N-propan-2-ylformamide
CID 167491595
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 51597301
[1-(2-chlorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-4-yl]-pyrrolidin-1-ylmethanone
CID 20863971

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone?
The IUPAC name of (3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone (CID 19589193) is (3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCCCC2c2ccccc2)c2c(C)nn(C(C)C)c2n1.
What is the InChIKey of (3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone?
The InChIKey is MDWIJKMAUGLWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-15(2)27-22-21(17(4)25-27)19(14-16(3)24-22)23(28)26-13-9-8-12-20(26)18-10-6-5-7-11-18/h5-7,10-11,14-15,20H,8-9,12-13H2,1-4H3.
What are the key properties of (3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone?
(3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone has a molecular weight of 376.50 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 19589193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).