5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C24H23Cl2N5O3 — CID 162379467

About 5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 162379467) has the molecular formula C24H23Cl2N5O3 and a molecular weight of 500.39 g/mol. Its IUPAC name is 5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• PubChem CID: 162379467
• Molecular Formula: C24H23Cl2N5O3
• Molecular Weight: 500.39 g/mol
• Exact Mass: 499.12
• IUPAC Name: 5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
• SMILES: COC1CCN(C(=O)C(Cc2ccc(Cl)cc2C#N)NC(=O)c2cc3cc(Cl)cnc3[nH]2)CC1
• InChI: InChI=1S/C24H23Cl2N5O3/c1-34-19-4-6-31(7-5-19)24(33)21(10-14-2-3-17(25)9-16(14)12-27)30-23(32)20-11-15-8-18(26)13-28-22(15)29-20/h2-3,8-9,11,13,19,21H,4-7,10H2,1H3,(H,28,29)(H,30,32)
• InChIKey: DFQUOQSPBOWEMP-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 111.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.39
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 162379467) is 5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is COC1CCN(C(=O)C(Cc2ccc(Cl)cc2C#N)NC(=O)c2cc3cc(Cl)cnc3[nH]2)CC1.

What is the InChIKey of 5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

The InChIKey is DFQUOQSPBOWEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O3/c1-34-19-4-6-31(7-5-19)24(33)21(10-14-2-3-17(25)9-16(14)12-27)30-23(32)20-11-15-8-18(26)13-28-22(15)29-20/h2-3,8-9,11,13,19,21H,4-7,10H2,1H3,(H,28,29)(H,30,32).

What are the key properties of 5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?

5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 500.39 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[3-(4-chloro-2-cyanophenyl)-1-(4-methoxypiperidin-1-yl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 162379467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).