N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide

C26H19FN4O2 — CID 127036409

IUPACN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)c(F)c3)c2)c1
InChIInChI=1S/C26H19FN4O2/c1-16-3-2-4-17(13-16)18-7-10-28-22(14-18)26(32)31-19-5-6-24(21(27)15-19)33-23-9-12-30-25-20(23)8-11-29-25/h2-15H,1H3,(H,29,30)(H,31,32)
InChIKeyOCQQLBMBDVZYKX-UHFFFAOYSA-N
MW438.46 g/mol
LogP6.12
Rot. Bonds5

About N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide

N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide (PubChem CID 127036409) has the molecular formula C26H19FN4O2 and a molecular weight of 438.46 g/mol. Its IUPAC name is N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide
PubChem CID127036409
Molecular FormulaC26H19FN4O2
Molecular Weight438.46 g/mol
Exact Mass438.15
IUPAC NameN-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)c(F)c3)c2)c1
InChIInChI=1S/C26H19FN4O2/c1-16-3-2-4-17(13-16)18-7-10-28-22(14-18)26(32)31-19-5-6-24(21(27)15-19)33-23-9-12-30-25-20(23)8-11-29-25/h2-15H,1H3,(H,29,30)(H,31,32)
InChIKeyOCQQLBMBDVZYKX-UHFFFAOYSA-N
XLogP6.12
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-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 N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide (CID 127036409) is N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide is Cc1cccc(-c2ccnc(C(=O)Nc3ccc(Oc4ccnc5[nH]ccc45)c(F)c3)c2)c1.
What is the InChIKey of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide?
The InChIKey is OCQQLBMBDVZYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O2/c1-16-3-2-4-17(13-16)18-7-10-28-22(14-18)26(32)31-19-5-6-24(21(27)15-19)33-23-9-12-30-25-20(23)8-11-29-25/h2-15H,1H3,(H,29,30)(H,31,32).
What are the key properties of N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide?
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 6.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-(3-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 127036409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).