4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide

C13H18N4O2 — CID 79204946

IUPAC4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
SMILESCC(C)n1ncc2cc(NC(=O)CCCO)cnc21
InChIInChI=1S/C13H18N4O2/c1-9(2)17-13-10(7-15-17)6-11(8-14-13)16-12(19)4-3-5-18/h6-9,18H,3-5H2,1-2H3,(H,16,19)
InChIKeyFZPKKLXFVRELKJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.72
Rot. Bonds5

About 4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide

4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide (PubChem CID 79204946) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
PubChem CID79204946
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
SMILESCC(C)n1ncc2cc(NC(=O)CCCO)cnc21
InChIInChI=1S/C13H18N4O2/c1-9(2)17-13-10(7-15-17)6-11(8-14-13)16-12(19)4-3-5-18/h6-9,18H,3-5H2,1-2H3,(H,16,19)
InChIKeyFZPKKLXFVRELKJ-UHFFFAOYSA-N
XLogP1.72
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
CID 27693401
tert-butyl N-[3-oxo-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)amino]propyl]carbamate
CID 38714330
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)prop-2-enamide
CID 43616552
4-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide
CID 81087136
2-(butan-2-ylamino)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 61259933
N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2-pyridin-4-ylsulfanylacetamide
CID 25349115
1-(3-methylbutyl)-3-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)urea
CID 51116464
(2S)-2-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)hexanamide
CID 103831926
2-methylsulfonyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 51080497
(2S,3S)-2-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pentanamide
CID 61260663
1-amino-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)cyclopropane-1-carboxamide
CID 65464709
3-(1-phenylbenzimidazol-2-yl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 38714091

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide (CID 79204946) is 4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide is CC(C)n1ncc2cc(NC(=O)CCCO)cnc21.
What is the InChIKey of 4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide?
The InChIKey is FZPKKLXFVRELKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9(2)17-13-10(7-15-17)6-11(8-14-13)16-12(19)4-3-5-18/h6-9,18H,3-5H2,1-2H3,(H,16,19).
What are the key properties of 4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide?
4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide has a molecular weight of 262.31 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)butanamide is sourced from PubChem (CID 79204946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).