2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide

C18H22N4O3 — CID 135632807

IUPAC2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
SMILESCC(C)(C)n1ncc2c1NC(=O)CC2c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C18H22N4O3/c1-18(2,3)22-17-14(9-20-22)13(8-16(24)21-17)11-4-6-12(7-5-11)25-10-15(19)23/h4-7,9,13H,8,10H2,1-3H3,(H2,19,23)(H,21,24)
InChIKeySJBJUODPISMESM-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.98
Rot. Bonds4

About 2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide

2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide (PubChem CID 135632807) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
PubChem CID135632807
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
SMILESCC(C)(C)n1ncc2c1NC(=O)CC2c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C18H22N4O3/c1-18(2,3)22-17-14(9-20-22)13(8-16(24)21-17)11-4-6-12(7-5-11)25-10-15(19)23/h4-7,9,13H,8,10H2,1-3H3,(H2,19,23)(H,21,24)
InChIKeySJBJUODPISMESM-UHFFFAOYSA-N
XLogP1.98
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide with MolForge

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Related Compounds

N-{1-[1-(4-ethoxybenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24817387
N-(1-{1-[3-(3-methoxyphenyl)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)-3-methylbutanamide
CID 24794335
4-(4-Methoxyphenyl)-1-methyl-4H,5H,7H-pyrazolo[3,4-b]pyridin-6-one
CID 135632934
4-(2-isopropoxyphenyl)-1-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632220
1-(tert-butyl)-4-(3-hydroxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632243
4-(4-hydroxy-3-methoxyphenyl)-1-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632474
4-(4-hydroxyphenyl)-1-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632675
1-(tert-butyl)-4-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135633075
4-(1,3-benzodioxol-5-yl)-1-cyclopentyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136055623
1-cyclopentyl-4-(4-methoxyphenyl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136159145
2-acetyl-3-amino-4-(4-methoxyphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 168282247
4-(3-allyl-5-ethoxy-4-methoxyphenyl)-2,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
CID 136069309

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide?
The IUPAC name of 2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide (CID 135632807) is 2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide is CC(C)(C)n1ncc2c1NC(=O)CC2c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide?
The InChIKey is SJBJUODPISMESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-18(2,3)22-17-14(9-20-22)13(8-16(24)21-17)11-4-6-12(7-5-11)25-10-15(19)23/h4-7,9,13H,8,10H2,1-3H3,(H2,19,23)(H,21,24).
What are the key properties of 2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide?
2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide has a molecular weight of 342.40 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-tert-butyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide is sourced from PubChem (CID 135632807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).