6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

C19H15ClN4O — CID 87191761

About 6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (PubChem CID 87191761) has the molecular formula C19H15ClN4O and a molecular weight of 350.81 g/mol. Its IUPAC name is 6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
• PubChem CID: 87191761
• Molecular Formula: C19H15ClN4O
• Molecular Weight: 350.81 g/mol
• Exact Mass: 350.09
• IUPAC Name: 6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
• SMILES: COc1ccc(Nc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)cc1
• InChI: InChI=1S/C19H15ClN4O/c1-25-14-6-4-13(5-7-14)23-18-10-12(9-17(20)24-18)16-11-22-19-15(16)3-2-8-21-19/h2-11H,1H3,(H,21,22)(H,23,24)
• InChIKey: WBSLJXQVPHHIEF-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 62.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	350.81
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?

The IUPAC name of 6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (CID 87191761) is 6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.

What is the SMILES notation for 6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?

The canonical SMILES for 6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is COc1ccc(Nc2cc(-c3c[nH]c4ncccc34)cc(Cl)n2)cc1.

What is the InChIKey of 6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?

The InChIKey is WBSLJXQVPHHIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O/c1-25-14-6-4-13(5-7-14)23-18-10-12(9-17(20)24-18)16-11-22-19-15(16)3-2-8-21-19/h2-11H,1H3,(H,21,22)(H,23,24).

What are the key properties of 6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?

6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine has a molecular weight of 350.81 g/mol, XLogP of 5.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(4-methoxyphenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 87191761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).