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

C17H27N3O2 — CID 95390635

IUPAC(4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)C[C@@H]1CC(=O)Nc2c1c(=O)[nH]n2C1CCCCCC1
InChIInChI=1S/C17H27N3O2/c1-11(2)9-12-10-14(21)18-16-15(12)17(22)19-20(16)13-7-5-3-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyJMAWOAJSYFEYEU-GFCCVEGCSA-N
MW305.42 g/mol
LogP3.54
Rot. Bonds3

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

(4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (PubChem CID 95390635) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is (4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.

Molecular Properties

Compound Name(4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
PubChem CID95390635
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name(4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione
SMILESCC(C)C[C@@H]1CC(=O)Nc2c1c(=O)[nH]n2C1CCCCCC1
InChIInChI=1S/C17H27N3O2/c1-11(2)9-12-10-14(21)18-16-15(12)17(22)19-20(16)13-7-5-3-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,18,21)(H,19,22)/t12-/m1/s1
InChIKeyJMAWOAJSYFEYEU-GFCCVEGCSA-N
XLogP3.54
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The IUPAC name of (4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione (CID 95390635) is (4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione.
What is the SMILES notation for (4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The canonical SMILES for (4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is CC(C)C[C@@H]1CC(=O)Nc2c1c(=O)[nH]n2C1CCCCCC1.
What is the InChIKey of (4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
The InChIKey is JMAWOAJSYFEYEU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11(2)9-12-10-14(21)18-16-15(12)17(22)19-20(16)13-7-5-3-4-6-8-13/h11-13H,3-10H2,1-2H3,(H,18,21)(H,19,22)/t12-/m1/s1.
What are the key properties of (4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione?
(4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione has a molecular weight of 305.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cycloheptyl-4-(2-methylpropyl)-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridine-3,6-dione is sourced from PubChem (CID 95390635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).