2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide

C14H14N4O3 — CID 135637602

IUPAC2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
SMILESNC(=O)COc1cccc(C2CC(=O)Nc3[nH]ncc32)c1
InChIInChI=1S/C14H14N4O3/c15-12(19)7-21-9-3-1-2-8(4-9)10-5-13(20)17-14-11(10)6-16-18-14/h1-4,6,10H,5,7H2,(H2,15,19)(H2,16,17,18,20)
InChIKeySLJWTGKKRFMIOU-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.75
Rot. Bonds4

About 2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide

2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide (PubChem CID 135637602) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
PubChem CID135637602
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
SMILESNC(=O)COc1cccc(C2CC(=O)Nc3[nH]ncc32)c1
InChIInChI=1S/C14H14N4O3/c15-12(19)7-21-9-3-1-2-8(4-9)10-5-13(20)17-14-11(10)6-16-18-14/h1-4,6,10H,5,7H2,(H2,15,19)(H2,16,17,18,20)
InChIKeySLJWTGKKRFMIOU-UHFFFAOYSA-N
XLogP0.75
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-(3-prop-2-ynoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135950651
(4R)-4-[3-(2-methylpropoxy)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902215
4-(3-propan-2-yloxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135633978
2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
CID 171386518
4-[3-(trifluoromethyl)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135636067
2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide
CID 52897805
(4S)-4-(3-prop-2-ynoxyphenyl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135902016
2-[3-[(4S)-3-methyl-6-oxo-1-pyrimidin-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
CID 135902793
2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide
CID 95713375
4-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 163216555
(4S)-4-[3-[(3-chlorophenyl)methoxy]-4-methoxyphenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902867
4-[3-(2-methylpropoxy)phenyl]-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135654397

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide?
The IUPAC name of 2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide (CID 135637602) is 2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide?
The canonical SMILES for 2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide is NC(=O)COc1cccc(C2CC(=O)Nc3[nH]ncc32)c1.
What is the InChIKey of 2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide?
The InChIKey is SLJWTGKKRFMIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c15-12(19)7-21-9-3-1-2-8(4-9)10-5-13(20)17-14-11(10)6-16-18-14/h1-4,6,10H,5,7H2,(H2,15,19)(H2,16,17,18,20).
What are the key properties of 2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide?
2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide has a molecular weight of 286.29 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide is sourced from PubChem (CID 135637602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).