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

C25H26N6O — CID 134793173

IUPAC[6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(c4ncccn4)CC3)c3cnn(C)c3n2)c(C)c1
InChIInChI=1S/C25H26N6O/c1-16-5-6-19(17(2)13-16)22-14-20(21-15-28-30(3)24(21)29-22)25(32)31-11-7-18(8-12-31)23-26-9-4-10-27-23/h4-6,9-10,13-15,18H,7-8,11-12H2,1-3H3
InChIKeySPCCIYHBGKPXLQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.06
Rot. Bonds3

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

[6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone (PubChem CID 134793173) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is [6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone
PubChem CID134793173
Molecular FormulaC25H26N6O
Molecular Weight426.52 g/mol
Exact Mass426.22
IUPAC Name[6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC(c4ncccn4)CC3)c3cnn(C)c3n2)c(C)c1
InChIInChI=1S/C25H26N6O/c1-16-5-6-19(17(2)13-16)22-14-20(21-15-28-30(3)24(21)29-22)25(32)31-11-7-18(8-12-31)23-26-9-4-10-27-23/h4-6,9-10,13-15,18H,7-8,11-12H2,1-3H3
InChIKeySPCCIYHBGKPXLQ-UHFFFAOYSA-N
XLogP4.06
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone?
The IUPAC name of [6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone (CID 134793173) is [6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone is Cc1ccc(-c2cc(C(=O)N3CCC(c4ncccn4)CC3)c3cnn(C)c3n2)c(C)c1.
What is the InChIKey of [6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone?
The InChIKey is SPCCIYHBGKPXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-16-5-6-19(17(2)13-16)22-14-20(21-15-28-30(3)24(21)29-22)25(32)31-11-7-18(8-12-31)23-26-9-4-10-27-23/h4-6,9-10,13-15,18H,7-8,11-12H2,1-3H3.
What are the key properties of [6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone?
[6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone has a molecular weight of 426.52 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-dimethylphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 134793173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).