2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C23H19Cl2F3N6O3 — CID 67376068

About 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 67376068) has the molecular formula C23H19Cl2F3N6O3 and a molecular weight of 555.34 g/mol. Its IUPAC name is 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 67376068
• Molecular Formula: C23H19Cl2F3N6O3
• Molecular Weight: 555.34 g/mol
• Exact Mass: 554.08
• IUPAC Name: 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: COCCOc1nc2nc(Nc3c(Cl)cncc3Cl)[nH]c2cc1C(=O)NCc1ccccc1C(F)(F)F
• InChI: InChI=1S/C23H19Cl2F3N6O3/c1-36-6-7-37-21-13(20(35)30-9-12-4-2-3-5-14(12)23(26,27)28)8-17-19(33-21)34-22(31-17)32-18-15(24)10-29-11-16(18)25/h2-5,8,10-11H,6-7,9H2,1H3,(H,30,35)(H2,29,31,32,33,34)
• InChIKey: FSEWLAWGLRSVOQ-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 114.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.34
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 67376068) is 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is COCCOc1nc2nc(Nc3c(Cl)cncc3Cl)[nH]c2cc1C(=O)NCc1ccccc1C(F)(F)F.

What is the InChIKey of 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is FSEWLAWGLRSVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3N6O3/c1-36-6-7-37-21-13(20(35)30-9-12-4-2-3-5-14(12)23(26,27)28)8-17-19(33-21)34-22(31-17)32-18-15(24)10-29-11-16(18)25/h2-5,8,10-11H,6-7,9H2,1H3,(H,30,35)(H2,29,31,32,33,34).

What are the key properties of 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 555.34 g/mol, XLogP of 5.38, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-dichloro-4-pyridinyl)amino]-5-(2-methoxyethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 67376068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).