N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide

C23H26FN3O2 — CID 71839414

IUPACN-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
SMILESO=C(CC1c2ncccc2C(=O)N1Cc1ccc(F)cc1)NC1CCCCCC1
InChIInChI=1S/C23H26FN3O2/c24-17-11-9-16(10-12-17)15-27-20(22-19(23(27)29)8-5-13-25-22)14-21(28)26-18-6-3-1-2-4-7-18/h5,8-13,18,20H,1-4,6-7,14-15H2,(H,26,28)
InChIKeyAIGIWVAQTGQHLD-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.15
Rot. Bonds5

About N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide

N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide (PubChem CID 71839414) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
PubChem CID71839414
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC NameN-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide
SMILESO=C(CC1c2ncccc2C(=O)N1Cc1ccc(F)cc1)NC1CCCCCC1
InChIInChI=1S/C23H26FN3O2/c24-17-11-9-16(10-12-17)15-27-20(22-19(23(27)29)8-5-13-25-22)14-21(28)26-18-6-3-1-2-4-7-18/h5,8-13,18,20H,1-4,6-7,14-15H2,(H,26,28)
InChIKeyAIGIWVAQTGQHLD-UHFFFAOYSA-N
XLogP4.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
The IUPAC name of N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide (CID 71839414) is N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide is O=C(CC1c2ncccc2C(=O)N1Cc1ccc(F)cc1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
The InChIKey is AIGIWVAQTGQHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-17-11-9-16(10-12-17)15-27-20(22-19(23(27)29)8-5-13-25-22)14-21(28)26-18-6-3-1-2-4-7-18/h5,8-13,18,20H,1-4,6-7,14-15H2,(H,26,28).
What are the key properties of N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide?
N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide has a molecular weight of 395.48 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[6-[(4-fluorophenyl)methyl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]acetamide is sourced from PubChem (CID 71839414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).