[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone

C20H23N5O2 — CID 134802275

IUPAC[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(C)CC3)c3cnn(C)c3n2)c1
InChIInChI=1S/C20H23N5O2/c1-23-7-9-25(10-8-23)20(26)16-12-18(14-5-4-6-15(11-14)27-3)22-19-17(16)13-21-24(19)2/h4-6,11-13H,7-10H2,1-3H3
InChIKeyXDVWXZBKVYRUPL-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.03
Rot. Bonds3

About [6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone

[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 134802275) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID134802275
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1cccc(-c2cc(C(=O)N3CCN(C)CC3)c3cnn(C)c3n2)c1
InChIInChI=1S/C20H23N5O2/c1-23-7-9-25(10-8-23)20(26)16-12-18(14-5-4-6-15(11-14)27-3)22-19-17(16)13-21-24(19)2/h4-6,11-13H,7-10H2,1-3H3
InChIKeyXDVWXZBKVYRUPL-UHFFFAOYSA-N
XLogP2.03
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 134802275) is [6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone is COc1cccc(-c2cc(C(=O)N3CCN(C)CC3)c3cnn(C)c3n2)c1.
What is the InChIKey of [6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is XDVWXZBKVYRUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-23-7-9-25(10-8-23)20(26)16-12-18(14-5-4-6-15(11-14)27-3)22-19-17(16)13-21-24(19)2/h4-6,11-13H,7-10H2,1-3H3.
What are the key properties of [6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 134802275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).