2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol

C17H28N4O — CID 111118878

IUPAC2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C17H28N4O/c1-6-13(4)17(5,22)11-18-8-14-7-15-10-20-21(12(2)3)16(15)19-9-14/h7,9-10,12-13,18,22H,6,8,11H2,1-5H3
InChIKeyGTECPHUECZJKHT-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.90
Rot. Bonds7

About 2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol

2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol (PubChem CID 111118878) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol
PubChem CID111118878
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol
SMILESCCC(C)C(C)(O)CNCc1cnc2c(cnn2C(C)C)c1
InChIInChI=1S/C17H28N4O/c1-6-13(4)17(5,22)11-18-8-14-7-15-10-20-21(12(2)3)16(15)19-9-14/h7,9-10,12-13,18,22H,6,8,11H2,1-5H3
InChIKeyGTECPHUECZJKHT-UHFFFAOYSA-N
XLogP2.90
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol with MolForge

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Related Compounds

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(2S)-2-{[4-(benzylamino)-8-(propan-2-yl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol
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(3R,4S)-4-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrrolidin-3-ol
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(2R)-2-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butan-1-ol
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(2R,3S)-3-[[7-(benzylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]butane-1,2,4-triol
CID 25125015
(2R)-7-amino-2-[[7-[(2-fluorophenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]heptan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol (CID 111118878) is 2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol is CCC(C)C(C)(O)CNCc1cnc2c(cnn2C(C)C)c1.
What is the InChIKey of 2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol?
The InChIKey is GTECPHUECZJKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-6-13(4)17(5,22)11-18-8-14-7-15-10-20-21(12(2)3)16(15)19-9-14/h7,9-10,12-13,18,22H,6,8,11H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol?
2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol has a molecular weight of 304.44 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 111118878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).