N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine

C14H22N4O — CID 63378566

IUPACN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H22N4O/c1-5-19-9-10(2)15-7-12-6-13-11(3)17-18(4)14(13)16-8-12/h6,8,10,15H,5,7,9H2,1-4H3
InChIKeyQAILGARKQPMJSL-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.79
Rot. Bonds6

About N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine

N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine (PubChem CID 63378566) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine
PubChem CID63378566
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCc1cnc2c(c1)c(C)nn2C
InChIInChI=1S/C14H22N4O/c1-5-19-9-10(2)15-7-12-6-13-11(3)17-18(4)14(13)16-8-12/h6,8,10,15H,5,7,9H2,1-4H3
InChIKeyQAILGARKQPMJSL-UHFFFAOYSA-N
XLogP1.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine?
The IUPAC name of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine (CID 63378566) is N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine is CCOCC(C)NCc1cnc2c(c1)c(C)nn2C.
What is the InChIKey of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine?
The InChIKey is QAILGARKQPMJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-19-9-10(2)15-7-12-6-13-11(3)17-18(4)14(13)16-8-12/h6,8,10,15H,5,7,9H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine?
N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine has a molecular weight of 262.36 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-ethoxypropan-2-amine is sourced from PubChem (CID 63378566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).