(2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol

C13H20N4O — CID 110912907

IUPAC(2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol
SMILESCC(C)n1ncc2cc(CN[C@H](C)CO)cnc21
InChIInChI=1S/C13H20N4O/c1-9(2)17-13-12(7-16-17)4-11(6-15-13)5-14-10(3)8-18/h4,6-7,9-10,14,18H,5,8H2,1-3H3/t10-/m1/s1
InChIKeyXQTJTXCKYQYPIH-SNVBAGLBSA-N
MW248.33 g/mol
LogP1.48
Rot. Bonds5

About (2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol

(2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol (PubChem CID 110912907) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol
PubChem CID110912907
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol
SMILESCC(C)n1ncc2cc(CN[C@H](C)CO)cnc21
InChIInChI=1S/C13H20N4O/c1-9(2)17-13-12(7-16-17)4-11(6-15-13)5-14-10(3)8-18/h4,6-7,9-10,14,18H,5,8H2,1-3H3/t10-/m1/s1
InChIKeyXQTJTXCKYQYPIH-SNVBAGLBSA-N
XLogP1.48
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol
CID 111468138
N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine
CID 63770838
3-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol
CID 111118983
2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol
CID 111118878
1-(4-methylphenyl)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]ethanol
CID 110912905
N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 99835539
3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol
CID 111113546
(2R)-2-(thieno[3,2-b]pyridin-6-ylmethylamino)propan-1-ol
CID 103848216
3-[(1R)-1-phenylethoxy]-N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyridin-2-amine
CID 99784717
N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-1-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methanamine
CID 129475227
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28683271
N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581530

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol?
The IUPAC name of (2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol (CID 110912907) is (2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol?
The canonical SMILES for (2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol is CC(C)n1ncc2cc(CN[C@H](C)CO)cnc21.
What is the InChIKey of (2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol?
The InChIKey is XQTJTXCKYQYPIH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9(2)17-13-12(7-16-17)4-11(6-15-13)5-14-10(3)8-18/h4,6-7,9-10,14,18H,5,8H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol?
(2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol has a molecular weight of 248.33 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol is sourced from PubChem (CID 110912907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).