(4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

C20H25N3O3 — CID 95389547

IUPAC(4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESO=C1C[C@H](c2ccc(O)cc2)c2c(n(C3CCCCCCC3)[nH]c2=O)N1
InChIInChI=1S/C20H25N3O3/c24-15-10-8-13(9-11-15)16-12-17(25)21-19-18(16)20(26)22-23(19)14-6-4-2-1-3-5-7-14/h8-11,14,16,24H,1-7,12H2,(H,21,25)(H,22,26)/t16-/m1/s1
InChIKeyLOSOGPKZHVREDW-MRXNPFEDSA-N
MW355.44 g/mol
LogP3.64
Rot. Bonds2

About (4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione

(4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 95389547) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name(4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID95389547
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESO=C1C[C@H](c2ccc(O)cc2)c2c(n(C3CCCCCCC3)[nH]c2=O)N1
InChIInChI=1S/C20H25N3O3/c24-15-10-8-13(9-11-15)16-12-17(25)21-19-18(16)20(26)22-23(19)14-6-4-2-1-3-5-7-14/h8-11,14,16,24H,1-7,12H2,(H,21,25)(H,22,26)/t16-/m1/s1
InChIKeyLOSOGPKZHVREDW-MRXNPFEDSA-N
XLogP3.64
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of (4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 95389547) is (4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for (4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for (4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is O=C1C[C@H](c2ccc(O)cc2)c2c(n(C3CCCCCCC3)[nH]c2=O)N1.
What is the InChIKey of (4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is LOSOGPKZHVREDW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-15-10-8-13(9-11-15)16-12-17(25)21-19-18(16)20(26)22-23(19)14-6-4-2-1-3-5-7-14/h8-11,14,16,24H,1-7,12H2,(H,21,25)(H,22,26)/t16-/m1/s1.
What are the key properties of (4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
(4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 355.44 g/mol, XLogP of 3.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclooctyl-4-(4-hydroxyphenyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 95389547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).