1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone

C19H23N5O2 — CID 167316617

IUPAC1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone
SMILESCOc1ncc(-c2cc3c(C(C)=O)nn(CC(C)(C)C)c3c(C)n2)cn1
InChIInChI=1S/C19H23N5O2/c1-11-17-14(16(12(2)25)23-24(17)10-19(3,4)5)7-15(22-11)13-8-20-18(26-6)21-9-13/h7-9H,10H2,1-6H3
InChIKeyIAMYMZKQTUCHGB-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.45
Rot. Bonds4

About 1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone

1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone (PubChem CID 167316617) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone
PubChem CID167316617
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone
SMILESCOc1ncc(-c2cc3c(C(C)=O)nn(CC(C)(C)C)c3c(C)n2)cn1
InChIInChI=1S/C19H23N5O2/c1-11-17-14(16(12(2)25)23-24(17)10-19(3,4)5)7-15(22-11)13-8-20-18(26-6)21-9-13/h7-9H,10H2,1-6H3
InChIKeyIAMYMZKQTUCHGB-UHFFFAOYSA-N
XLogP3.45
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone?
The IUPAC name of 1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone (CID 167316617) is 1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone is COc1ncc(-c2cc3c(C(C)=O)nn(CC(C)(C)C)c3c(C)n2)cn1.
What is the InChIKey of 1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone?
The InChIKey is IAMYMZKQTUCHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-11-17-14(16(12(2)25)23-24(17)10-19(3,4)5)7-15(22-11)13-8-20-18(26-6)21-9-13/h7-9H,10H2,1-6H3.
What are the key properties of 1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone?
1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone has a molecular weight of 353.43 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-dimethylpropyl)-5-(2-methoxypyrimidin-5-yl)-7-methylpyrazolo[3,4-c]pyridin-3-yl]ethanone is sourced from PubChem (CID 167316617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).