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

C20H23N5O2 — CID 134802419

IUPAC[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCN(C)CC2)c2cnn(C)c2n1
InChIInChI=1S/C20H23N5O2/c1-23-8-10-25(11-9-23)20(26)15-12-17(14-6-4-5-7-18(14)27-3)22-19-16(15)13-21-24(19)2/h4-7,12-13H,8-11H2,1-3H3
InChIKeyOVFLYAZHCMBZDD-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.03
Rot. Bonds3

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

[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 134802419) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID134802419
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCOc1ccccc1-c1cc(C(=O)N2CCN(C)CC2)c2cnn(C)c2n1
InChIInChI=1S/C20H23N5O2/c1-23-8-10-25(11-9-23)20(26)15-12-17(14-6-4-5-7-18(14)27-3)22-19-16(15)13-21-24(19)2/h4-7,12-13H,8-11H2,1-3H3
InChIKeyOVFLYAZHCMBZDD-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

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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-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 134802419) is [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone is COc1ccccc1-c1cc(C(=O)N2CCN(C)CC2)c2cnn(C)c2n1.
What is the InChIKey of [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is OVFLYAZHCMBZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-23-8-10-25(11-9-23)20(26)15-12-17(14-6-4-5-7-18(14)27-3)22-19-16(15)13-21-24(19)2/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of [6-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone?
[6-(2-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-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 134802419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).