Skip to content

2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide

C32H30FN5O3 — CID 155415169

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide
SMILESCN1CCC(c2ccc(-c3ccc4c(n3)C(=O)N(C(C(=O)Nc3ccccn3)c3cc(F)ccc3O)C4)cc2)CC1
InChIInChI=1S/C32H30FN5O3/c1-37-16-13-21(14-17-37)20-5-7-22(8-6-20)26-11-9-23-19-38(32(41)29(23)35-26)30(25-18-24(33)10-12-27(25)39)31(40)36-28-4-2-3-15-34-28/h2-12,15,18,21,30,39H,13-14,16-17,19H2,1H3,(H,34,36,40)
InChIKeyMYQXWXOIBPJPPV-UHFFFAOYSA-N
MW551.62 g/mol
LogP5.13
Rot. Bonds6

About 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide

2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide (PubChem CID 155415169) has the molecular formula C32H30FN5O3 and a molecular weight of 551.62 g/mol. Its IUPAC name is 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide
PubChem CID155415169
Molecular FormulaC32H30FN5O3
Molecular Weight551.62 g/mol
Exact Mass551.23
IUPAC Name2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide
SMILESCN1CCC(c2ccc(-c3ccc4c(n3)C(=O)N(C(C(=O)Nc3ccccn3)c3cc(F)ccc3O)C4)cc2)CC1
InChIInChI=1S/C32H30FN5O3/c1-37-16-13-21(14-17-37)20-5-7-22(8-6-20)26-11-9-23-19-38(32(41)29(23)35-26)30(25-18-24(33)10-12-27(25)39)31(40)36-28-4-2-3-15-34-28/h2-12,15,18,21,30,39H,13-14,16-17,19H2,1H3,(H,34,36,40)
InChIKeyMYQXWXOIBPJPPV-UHFFFAOYSA-N
XLogP5.13
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.62
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide 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 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide (CID 155415169) is 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide is CN1CCC(c2ccc(-c3ccc4c(n3)C(=O)N(C(C(=O)Nc3ccccn3)c3cc(F)ccc3O)C4)cc2)CC1.
What is the InChIKey of 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide?
The InChIKey is MYQXWXOIBPJPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN5O3/c1-37-16-13-21(14-17-37)20-5-7-22(8-6-20)26-11-9-23-19-38(32(41)29(23)35-26)30(25-18-24(33)10-12-27(25)39)31(40)36-28-4-2-3-15-34-28/h2-12,15,18,21,30,39H,13-14,16-17,19H2,1H3,(H,34,36,40).
What are the key properties of 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide?
2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide has a molecular weight of 551.62 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-hydroxyphenyl)-2-[2-[4-(1-methylpiperidin-4-yl)phenyl]-7-oxo-5H-pyrrolo[3,4-b]pyridin-6-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 155415169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.