5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine

C23H23Cl2N5O — CID 137368695

About 5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine

5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 137368695) has the molecular formula C23H23Cl2N5O and a molecular weight of 456.38 g/mol. Its IUPAC name is 5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137368695
• Molecular Formula: C23H23Cl2N5O
• Molecular Weight: 456.38 g/mol
• Exact Mass: 455.13
• IUPAC Name: 5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine
• SMILES: CCn1cc(-c2ccc(OC)cc2Cl)c2c1CCN(Cc1nc3nc(Cl)ccc3[nH]1)C2
• InChI: InChI=1S/C23H23Cl2N5O/c1-3-30-12-16(15-5-4-14(31-2)10-18(15)24)17-11-29(9-8-20(17)30)13-22-26-19-6-7-21(25)27-23(19)28-22/h4-7,10,12H,3,8-9,11,13H2,1-2H3,(H,26,27,28)
• InChIKey: BZFQMPZIOUSNDJ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 58.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.38
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine (CID 137368695) is 5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine is CCn1cc(-c2ccc(OC)cc2Cl)c2c1CCN(Cc1nc3nc(Cl)ccc3[nH]1)C2.

What is the InChIKey of 5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine?

The InChIKey is BZFQMPZIOUSNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O/c1-3-30-12-16(15-5-4-14(31-2)10-18(15)24)17-11-29(9-8-20(17)30)13-22-26-19-6-7-21(25)27-23(19)28-22/h4-7,10,12H,3,8-9,11,13H2,1-2H3,(H,26,27,28).

What are the key properties of 5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine?

5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 456.38 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-[[3-(2-chloro-4-methoxyphenyl)-1-ethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl]methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137368695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).