2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol

C13H20N4O — CID 63771382

IUPAC2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol
SMILESCc1nn(C)c2ncc(CNC(C)(C)CO)cc12
InChIInChI=1S/C13H20N4O/c1-9-11-5-10(7-15-13(2,3)8-18)6-14-12(11)17(4)16-9/h5-6,15,18H,7-8H2,1-4H3
InChIKeyKZHTYXPMGQNAEL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.14
Rot. Bonds4

About 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol

2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol (PubChem CID 63771382) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol
PubChem CID63771382
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol
SMILESCc1nn(C)c2ncc(CNC(C)(C)CO)cc12
InChIInChI=1S/C13H20N4O/c1-9-11-5-10(7-15-13(2,3)8-18)6-14-12(11)17(4)16-9/h5-6,15,18H,7-8H2,1-4H3
InChIKeyKZHTYXPMGQNAEL-UHFFFAOYSA-N
XLogP1.14
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol (CID 63771382) is 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol is Cc1nn(C)c2ncc(CNC(C)(C)CO)cc12.
What is the InChIKey of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol?
The InChIKey is KZHTYXPMGQNAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-11-5-10(7-15-13(2,3)8-18)6-14-12(11)17(4)16-9/h5-6,15,18H,7-8H2,1-4H3.
What are the key properties of 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol?
2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 63771382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).