1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

C18H21N3O3 — CID 53371263

IUPAC1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCOc1ccccc1C1CC(=O)Nc2c1c(=O)[nH]n2C1CCCC1
InChIInChI=1S/C18H21N3O3/c1-24-14-9-5-4-8-12(14)13-10-15(22)19-17-16(13)18(23)20-21(17)11-6-2-3-7-11/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyANWSAKOVVXAAMM-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.77
Rot. Bonds3

About 1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 53371263) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID53371263
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCOc1ccccc1C1CC(=O)Nc2c1c(=O)[nH]n2C1CCCC1
InChIInChI=1S/C18H21N3O3/c1-24-14-9-5-4-8-12(14)13-10-15(22)19-17-16(13)18(23)20-21(17)11-6-2-3-7-11/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyANWSAKOVVXAAMM-UHFFFAOYSA-N
XLogP2.77
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of 1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 53371263) is 1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for 1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for 1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is COc1ccccc1C1CC(=O)Nc2c1c(=O)[nH]n2C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is ANWSAKOVVXAAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-24-14-9-5-4-8-12(14)13-10-15(22)19-17-16(13)18(23)20-21(17)11-6-2-3-7-11/h4-5,8-9,11,13H,2-3,6-7,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 327.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(2-methoxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 53371263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).