3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C23H22FN5O2 — CID 58259200

IUPAC3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]cc(Cc3ccc(CCc4cccnc4OC)nc3F)c2c1
InChIInChI=1S/C23H22FN5O2/c1-25-22(30)17-11-19-16(12-27-21(19)28-13-17)10-15-6-8-18(29-20(15)24)7-5-14-4-3-9-26-23(14)31-2/h3-4,6,8-9,11-13H,5,7,10H2,1-2H3,(H,25,30)(H,27,28)
InChIKeyQREUMKSUAUHFNP-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.24
Rot. Bonds7

About 3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 58259200) has the molecular formula C23H22FN5O2 and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID58259200
Molecular FormulaC23H22FN5O2
Molecular Weight419.46 g/mol
Exact Mass419.18
IUPAC Name3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]cc(Cc3ccc(CCc4cccnc4OC)nc3F)c2c1
InChIInChI=1S/C23H22FN5O2/c1-25-22(30)17-11-19-16(12-27-21(19)28-13-17)10-15-6-8-18(29-20(15)24)7-5-14-4-3-9-26-23(14)31-2/h3-4,6,8-9,11-13H,5,7,10H2,1-2H3,(H,25,30)(H,27,28)
InChIKeyQREUMKSUAUHFNP-UHFFFAOYSA-N
XLogP3.24
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide 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 3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 58259200) is 3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2[nH]cc(Cc3ccc(CCc4cccnc4OC)nc3F)c2c1.
What is the InChIKey of 3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is QREUMKSUAUHFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O2/c1-25-22(30)17-11-19-16(12-27-21(19)28-13-17)10-15-6-8-18(29-20(15)24)7-5-14-4-3-9-26-23(14)31-2/h3-4,6,8-9,11-13H,5,7,10H2,1-2H3,(H,25,30)(H,27,28).
What are the key properties of 3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-6-[2-(2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 58259200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).