N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

C13H20N4O — CID 62536786

IUPACN-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCOCC(C)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C13H20N4O/c1-9(2)17-13-11(6-15-17)5-12(7-14-13)16-10(3)8-18-4/h5-7,9-10,16H,8H2,1-4H3
InChIKeyWSUOCGHTSICDNV-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.46
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine

N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (PubChem CID 62536786) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
PubChem CID62536786
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
SMILESCOCC(C)Nc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C13H20N4O/c1-9(2)17-13-11(6-15-17)5-12(7-14-13)16-10(3)8-18-4/h5-7,9-10,16H,8H2,1-4H3
InChIKeyWSUOCGHTSICDNV-UHFFFAOYSA-N
XLogP2.46
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine (CID 62536786) is N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is COCC(C)Nc1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is WSUOCGHTSICDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)17-13-11(6-15-17)5-12(7-14-13)16-10(3)8-18-4/h5-7,9-10,16H,8H2,1-4H3.
What are the key properties of N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine?
N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 248.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 62536786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).