(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone

C27H28N4O2 — CID 44821564

IUPAC(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C27H28N4O2/c1-30-26-24(18-28-30)23(17-25(29-26)21-8-10-22(33-2)11-9-21)27(32)31-14-12-20(13-15-31)16-19-6-4-3-5-7-19/h3-11,17-18,20H,12-16H2,1-2H3
InChIKeyHEVNFZHFQBZYAR-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.74
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone

(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone (PubChem CID 44821564) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
PubChem CID44821564
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C27H28N4O2/c1-30-26-24(18-28-30)23(17-25(29-26)21-8-10-22(33-2)11-9-21)27(32)31-14-12-20(13-15-31)16-19-6-4-3-5-7-19/h3-11,17-18,20H,12-16H2,1-2H3
InChIKeyHEVNFZHFQBZYAR-UHFFFAOYSA-N
XLogP4.74
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone with MolForge

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Related Compounds

[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 44821575
(4-benzylpiperazin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone
CID 44821362
(4-benzylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 59011454
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 134802057
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 44823378
[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
CID 134801381
(4-benzylpiperidin-1-yl)-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 44822917
(4-benzylpiperidin-1-yl)-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methanone
CID 42665829
(4-benzylpiperidin-1-yl)-(2-bromo-5-methoxyphenyl)methanone
CID 27553728
(4-benzylpiperidin-1-yl)-(6-chloro-2-phenylquinolin-4-yl)methanone
CID 17250380
(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone
CID 4626628
(4-benzylpiperidin-1-yl)-[1-(2-fluorophenyl)-5-(4-methoxyphenyl)-2-methylpyrrol-3-yl]methanone
CID 42785490

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone (CID 44821564) is (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3cnn(C)c3n2)cc1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone?
The InChIKey is HEVNFZHFQBZYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-30-26-24(18-28-30)23(17-25(29-26)21-8-10-22(33-2)11-9-21)27(32)31-14-12-20(13-15-31)16-19-6-4-3-5-7-19/h3-11,17-18,20H,12-16H2,1-2H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone?
(4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone has a molecular weight of 440.55 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]methanone is sourced from PubChem (CID 44821564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).