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

C26H26N4O2 — CID 134803603

IUPAC[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(c4ccccc4)CC3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C26H26N4O2/c1-29-25-23(17-27-29)22(16-24(28-25)20-8-10-21(32-2)11-9-20)26(31)30-14-12-19(13-15-30)18-6-4-3-5-7-18/h3-11,16-17,19H,12-15H2,1-2H3
InChIKeyMGPHQICDIBQNAB-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.66
Rot. Bonds4

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

[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone (PubChem CID 134803603) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone
PubChem CID134803603
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCC(c4ccccc4)CC3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C26H26N4O2/c1-29-25-23(17-27-29)22(16-24(28-25)20-8-10-21(32-2)11-9-20)26(31)30-14-12-19(13-15-30)18-6-4-3-5-7-18/h3-11,16-17,19H,12-15H2,1-2H3
InChIKeyMGPHQICDIBQNAB-UHFFFAOYSA-N
XLogP4.66
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone (CID 134803603) is [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone is COc1ccc(-c2cc(C(=O)N3CCC(c4ccccc4)CC3)c3cnn(C)c3n2)cc1.
What is the InChIKey of [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is MGPHQICDIBQNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-29-25-23(17-27-29)22(16-24(28-25)20-8-10-21(32-2)11-9-20)26(31)30-14-12-19(13-15-30)18-6-4-3-5-7-18/h3-11,16-17,19H,12-15H2,1-2H3.
What are the key properties of [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone?
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 426.52 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 134803603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).