(4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone

C23H28N4O — CID 44822917

IUPAC(4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone
SMILESCCCn1ncc2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc(C)nc21
InChIInChI=1S/C23H28N4O/c1-3-11-27-22-21(16-24-27)20(14-17(2)25-22)23(28)26-12-9-19(10-13-26)15-18-7-5-4-6-8-18/h4-8,14,16,19H,3,9-13,15H2,1-2H3
InChIKeyAVLXCMHUTBLLLQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.24
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone

(4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone (PubChem CID 44822917) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone
PubChem CID44822917
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name(4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone
SMILESCCCn1ncc2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc(C)nc21
InChIInChI=1S/C23H28N4O/c1-3-11-27-22-21(16-24-27)20(14-17(2)25-22)23(28)26-12-9-19(10-13-26)15-18-7-5-4-6-8-18/h4-8,14,16,19H,3,9-13,15H2,1-2H3
InChIKeyAVLXCMHUTBLLLQ-UHFFFAOYSA-N
XLogP4.24
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 44822876
(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821564
(4-aminopiperidin-1-yl)-(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 119373427
[6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridin-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 17480576
1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 32679602
(1-ethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560360
(4-benzylpiperidin-1-yl)-[6-methyl-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42749610
(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 53162861
(1-benzyl-5-methylpyrazol-4-yl)-[4-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 75440738
1-(1-butan-2-yl-6-methylpyrazolo[3,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 119349273
[4-(methylaminomethyl)piperidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 119542694
(4-benzylpiperidin-1-yl)-(1,5-dimethylpyrazol-3-yl)methanone
CID 110685777

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone (CID 44822917) is (4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone is CCCn1ncc2c(C(=O)N3CCC(Cc4ccccc4)CC3)cc(C)nc21.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone?
The InChIKey is AVLXCMHUTBLLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-3-11-27-22-21(16-24-27)20(14-17(2)25-22)23(28)26-12-9-19(10-13-26)15-18-7-5-4-6-8-18/h4-8,14,16,19H,3,9-13,15H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone?
(4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone has a molecular weight of 376.50 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone is sourced from PubChem (CID 44822917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).