5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide

C25H17ClN4O2 — CID 127036195

About 5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide

5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide (PubChem CID 127036195) has the molecular formula C25H17ClN4O2 and a molecular weight of 440.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
• PubChem CID: 127036195
• Molecular Formula: C25H17ClN4O2
• Molecular Weight: 440.89 g/mol
• Exact Mass: 440.10
• IUPAC Name: 5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide
• SMILES: O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1ccc(-c2ccc(Cl)cc2)cn1
• InChI: InChI=1S/C25H17ClN4O2/c26-18-4-1-16(2-5-18)17-3-10-22(29-15-17)25(31)30-19-6-8-20(9-7-19)32-23-12-14-28-24-21(23)11-13-27-24/h1-15H,(H,27,28)(H,30,31)
• InChIKey: MEHKMESJOSLPHT-UHFFFAOYSA-N
• XLogP: 6.32
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.89
LogP ≤ 5	6.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?

The IUPAC name of 5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide (CID 127036195) is 5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?

The canonical SMILES for 5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)cc1)c1ccc(-c2ccc(Cl)cc2)cn1.

What is the InChIKey of 5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?

The InChIKey is MEHKMESJOSLPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O2/c26-18-4-1-16(2-5-18)17-3-10-22(29-15-17)25(31)30-19-6-8-20(9-7-19)32-23-12-14-28-24-21(23)11-13-27-24/h1-15H,(H,27,28)(H,30,31).

What are the key properties of 5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide?

5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide has a molecular weight of 440.89 g/mol, XLogP of 6.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chlorophenyl)-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 127036195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).