4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide

C27H24N4O2 — CID 16720319

IUPAC4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C27H24N4O2/c32-26(29-13-10-18-4-2-1-3-5-18)20-8-6-19(7-9-20)24-16-21(11-14-28-24)25-17-22-23(31-25)12-15-30-27(22)33/h1-9,11,14,16-17,31H,10,12-13,15H2,(H,29,32)(H,30,33)
InChIKeyMFPLVKCDUSQJLT-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.00
Rot. Bonds6

About 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide

4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide (PubChem CID 16720319) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide
PubChem CID16720319
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1
InChIInChI=1S/C27H24N4O2/c32-26(29-13-10-18-4-2-1-3-5-18)20-8-6-19(7-9-20)24-16-21(11-14-28-24)25-17-22-23(31-25)12-15-30-27(22)33/h1-9,11,14,16-17,31H,10,12-13,15H2,(H,29,32)(H,30,33)
InChIKeyMFPLVKCDUSQJLT-UHFFFAOYSA-N
XLogP4.00
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide 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 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide (CID 16720319) is 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1.
What is the InChIKey of 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide?
The InChIKey is MFPLVKCDUSQJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-26(29-13-10-18-4-2-1-3-5-18)20-8-6-19(7-9-20)24-16-21(11-14-28-24)25-17-22-23(31-25)12-15-30-27(22)33/h1-9,11,14,16-17,31H,10,12-13,15H2,(H,29,32)(H,30,33).
What are the key properties of 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide?
4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide has a molecular weight of 436.52 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 16720319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).