[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C23H23N7O2 — CID 134788141

IUPAC[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCN(c3ncccn3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C23H23N7O2/c1-28-21-18(15-26-28)17(14-19(27-21)16-6-3-4-7-20(16)32-2)22(31)29-10-12-30(13-11-29)23-24-8-5-9-25-23/h3-9,14-15H,10-13H2,1-2H3
InChIKeyMVJNNWTTXGDLQJ-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.40
Rot. Bonds4

About [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 134788141) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID134788141
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCN(c3ncccn3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C23H23N7O2/c1-28-21-18(15-26-28)17(14-19(27-21)16-6-3-4-7-20(16)32-2)22(31)29-10-12-30(13-11-29)23-24-8-5-9-25-23/h3-9,14-15H,10-13H2,1-2H3
InChIKeyMVJNNWTTXGDLQJ-UHFFFAOYSA-N
XLogP2.40
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 134788141) is [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is COc1ccccc1-c1cc(C(=O)N2CCN(c3ncccn3)CC2)c2cnn(C)c2n1.
What is the InChIKey of [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is MVJNNWTTXGDLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-28-21-18(15-26-28)17(14-19(27-21)16-6-3-4-7-20(16)32-2)22(31)29-10-12-30(13-11-29)23-24-8-5-9-25-23/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 429.48 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 134788141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).