[2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

C19H28N4O3 — CID 167767207

IUPAC[2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCOCCC1(C)CN(C(=O)c2cc3cnn(C(C)C)c3nc2C)CCO1
InChIInChI=1S/C19H28N4O3/c1-13(2)23-17-15(11-20-23)10-16(14(3)21-17)18(24)22-7-9-26-19(4,12-22)6-8-25-5/h10-11,13H,6-9,12H2,1-5H3
InChIKeyWDRDRGPRKDIMQB-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.59
Rot. Bonds5

About [2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone

[2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (PubChem CID 167767207) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is [2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
PubChem CID167767207
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name[2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCOCCC1(C)CN(C(=O)c2cc3cnn(C(C)C)c3nc2C)CCO1
InChIInChI=1S/C19H28N4O3/c1-13(2)23-17-15(11-20-23)10-16(14(3)21-17)18(24)22-7-9-26-19(4,12-22)6-8-25-5/h10-11,13H,6-9,12H2,1-5H3
InChIKeyWDRDRGPRKDIMQB-UHFFFAOYSA-N
XLogP2.59
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The IUPAC name of [2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone (CID 167767207) is [2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is COCCC1(C)CN(C(=O)c2cc3cnn(C(C)C)c3nc2C)CCO1.
What is the InChIKey of [2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
The InChIKey is WDRDRGPRKDIMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13(2)23-17-15(11-20-23)10-16(14(3)21-17)18(24)22-7-9-26-19(4,12-22)6-8-25-5/h10-11,13H,6-9,12H2,1-5H3.
What are the key properties of [2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone?
[2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)-2-methylmorpholin-4-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 167767207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).