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

C20H24N4O4 — CID 135634261

IUPAC2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide
SMILESCOc1ccc(C2CC(=O)Nc3c2cnn3C2CCCC2)cc1OCC(N)=O
InChIInChI=1S/C20H24N4O4/c1-27-16-7-6-12(8-17(16)28-11-18(21)25)14-9-19(26)23-20-15(14)10-22-24(20)13-4-2-3-5-13/h6-8,10,13-14H,2-5,9,11H2,1H3,(H2,21,25)(H,23,26)
InChIKeyNWODOKSQEVTTTK-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.35
Rot. Bonds6

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

2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide (PubChem CID 135634261) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide
PubChem CID135634261
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide
SMILESCOc1ccc(C2CC(=O)Nc3c2cnn3C2CCCC2)cc1OCC(N)=O
InChIInChI=1S/C20H24N4O4/c1-27-16-7-6-12(8-17(16)28-11-18(21)25)14-9-19(26)23-20-15(14)10-22-24(20)13-4-2-3-5-13/h6-8,10,13-14H,2-5,9,11H2,1H3,(H2,21,25)(H,23,26)
InChIKeyNWODOKSQEVTTTK-UHFFFAOYSA-N
XLogP2.35
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide?
The IUPAC name of 2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide (CID 135634261) is 2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide is COc1ccc(C2CC(=O)Nc3c2cnn3C2CCCC2)cc1OCC(N)=O.
What is the InChIKey of 2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide?
The InChIKey is NWODOKSQEVTTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-27-16-7-6-12(8-17(16)28-11-18(21)25)14-9-19(26)23-20-15(14)10-22-24(20)13-4-2-3-5-13/h6-8,10,13-14H,2-5,9,11H2,1H3,(H2,21,25)(H,23,26).
What are the key properties of 2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide?
2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide has a molecular weight of 384.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-cyclopentyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)-2-methoxyphenoxy]acetamide is sourced from PubChem (CID 135634261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).