[1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C23H23N7O — CID 134799904

IUPAC[1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C23H23N7O/c1-16-4-6-17(7-5-16)20-14-18(19-15-26-28(2)21(19)27-20)22(31)29-10-12-30(13-11-29)23-24-8-3-9-25-23/h3-9,14-15H,10-13H2,1-2H3
InChIKeyZSTHSRAPJIZXKZ-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.70
Rot. Bonds3

About [1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 134799904) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is [1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID134799904
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name[1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C23H23N7O/c1-16-4-6-17(7-5-16)20-14-18(19-15-26-28(2)21(19)27-20)22(31)29-10-12-30(13-11-29)23-24-8-3-9-25-23/h3-9,14-15H,10-13H2,1-2H3
InChIKeyZSTHSRAPJIZXKZ-UHFFFAOYSA-N
XLogP2.70
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 134799904) is [1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3cnn(C)c3n2)cc1.
What is the InChIKey of [1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZSTHSRAPJIZXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-16-4-6-17(7-5-16)20-14-18(19-15-26-28(2)21(19)27-20)22(31)29-10-12-30(13-11-29)23-24-8-3-9-25-23/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of [1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 413.49 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 134799904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).