3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol

C15H24N4O2 — CID 111113546

IUPAC3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol
SMILESCC(C)n1ncc2cc(CN(CCO)CCCO)cnc21
InChIInChI=1S/C15H24N4O2/c1-12(2)19-15-14(10-17-19)8-13(9-16-15)11-18(5-7-21)4-3-6-20/h8-10,12,20-21H,3-7,11H2,1-2H3
InChIKeyKDXCKFBADFBMLJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.19
Rot. Bonds8

About 3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol

3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol (PubChem CID 111113546) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol
PubChem CID111113546
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol
SMILESCC(C)n1ncc2cc(CN(CCO)CCCO)cnc21
InChIInChI=1S/C15H24N4O2/c1-12(2)19-15-14(10-17-19)8-13(9-16-15)11-18(5-7-21)4-3-6-20/h8-10,12,20-21H,3-7,11H2,1-2H3
InChIKeyKDXCKFBADFBMLJ-UHFFFAOYSA-N
XLogP1.19
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol with MolForge

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Related Compounds

(2R)-2-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propan-1-ol
CID 110912907
4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 79204946
4-methyl-1-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methylamino]pentan-3-ol
CID 111468138
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
1,5-dimethyl-3-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]pyrimidine-2,4-dione
CID 155952538
(2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
CID 103831926
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
CID 27693401
4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 81087136
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-amine
CID 28683271
N-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 99835539
N-[(1-butan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]propan-2-amine
CID 63770838

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol (CID 111113546) is 3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol is CC(C)n1ncc2cc(CN(CCO)CCCO)cnc21.
What is the InChIKey of 3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol?
The InChIKey is KDXCKFBADFBMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-12(2)19-15-14(10-17-19)8-13(9-16-15)11-18(5-7-21)4-3-6-20/h8-10,12,20-21H,3-7,11H2,1-2H3.
What are the key properties of 3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol?
3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol has a molecular weight of 292.38 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl-[(1-propan-2-ylpyrazolo[5,4-b]pyridin-5-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 111113546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).