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

C19H22N4O4 — CID 95713375

IUPAC2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide
SMILESNC(=O)COc1cccc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)c1
InChIInChI=1S/C19H22N4O4/c20-15(24)10-27-13-7-3-4-11(8-13)14-9-16(25)21-18-17(14)19(26)22-23(18)12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,9-10H2,(H2,20,24)(H,21,25)(H,22,26)/t14-/m1/s1
InChIKeyCIJPRTYNEIWZNL-CQSZACIVSA-N
MW370.41 g/mol
LogP1.63
Rot. Bonds5

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

2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide (PubChem CID 95713375) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide
PubChem CID95713375
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide
SMILESNC(=O)COc1cccc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)c1
InChIInChI=1S/C19H22N4O4/c20-15(24)10-27-13-7-3-4-11(8-13)14-9-16(25)21-18-17(14)19(26)22-23(18)12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,9-10H2,(H2,20,24)(H,21,25)(H,22,26)/t14-/m1/s1
InChIKeyCIJPRTYNEIWZNL-CQSZACIVSA-N
XLogP1.63
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(4S)-3,7-dioxo-1-(thian-4-yl)-4,8-dihydro-2H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy]acetamide
CID 97496396
(4S)-1-cyclopentyl-4-(4-fluorophenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95706177
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-[3-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
CID 135876821
2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135637602
2-(1-cyclohexyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl)benzoic acid
CID 171913823
2-[3-[(7S)-3-(3-chloro-4-fluorophenyl)-5-oxo-6,7-dihydro-4H-imidazo[4,5-b]pyridin-7-yl]phenoxy]acetamide
CID 51973932
2-[3-[7-(dimethylamino)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetamide
CID 171386518
(4S)-1-cyclopentyl-4-thiophen-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 95706511
1-cycloheptyl-4-(1-methylpyrazol-4-yl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
CID 53369967
2-[3-[1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-3-methyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl]phenoxy]acetamide
CID 135732976
2-[3-[(7S)-2-(methylamino)-5-oxo-6,7-dihydro-4H-[1,3]thiazolo[4,5-b]pyridin-7-yl]phenoxy]acetamide
CID 52897805

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide (CID 95713375) is 2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide is NC(=O)COc1cccc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)c1.
What is the InChIKey of 2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide?
The InChIKey is CIJPRTYNEIWZNL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4O4/c20-15(24)10-27-13-7-3-4-11(8-13)14-9-16(25)21-18-17(14)19(26)22-23(18)12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,9-10H2,(H2,20,24)(H,21,25)(H,22,26)/t14-/m1/s1.
What are the key properties of 2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide?
2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide has a molecular weight of 370.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4R)-1-cyclopentyl-3,6-dioxo-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-4-yl]phenoxy]acetamide is sourced from PubChem (CID 95713375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).