ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate

C15H20N4O3 — CID 10267029

IUPACethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2C)c1NC1CCOCC1
InChIInChI=1S/C15H20N4O3/c1-3-22-15(20)12-8-16-14-11(9-17-19(14)2)13(12)18-10-4-6-21-7-5-10/h8-10H,3-7H2,1-2H3,(H,16,18)
InChIKeyYXUKZLNALVBOIT-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.74
Rot. Bonds4

About ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10267029) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10267029
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Nameethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(cnn2C)c1NC1CCOCC1
InChIInChI=1S/C15H20N4O3/c1-3-22-15(20)12-8-16-14-11(9-17-19(14)2)13(12)18-10-4-6-21-7-5-10/h8-10H,3-7H2,1-2H3,(H,16,18)
InChIKeyYXUKZLNALVBOIT-UHFFFAOYSA-N
XLogP1.74
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate (CID 10267029) is ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(cnn2C)c1NC1CCOCC1.
What is the InChIKey of ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is YXUKZLNALVBOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-3-22-15(20)12-8-16-14-11(9-17-19(14)2)13(12)18-10-4-6-21-7-5-10/h8-10H,3-7H2,1-2H3,(H,16,18).
What are the key properties of ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10267029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).