4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide

C25H21FN6O3 — CID 122431454

About 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide

4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide (PubChem CID 122431454) has the molecular formula C25H21FN6O3 and a molecular weight of 472.48 g/mol. Its IUPAC name is 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide.

Molecular Properties

• Compound Name: 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
• PubChem CID: 122431454
• Molecular Formula: C25H21FN6O3
• Molecular Weight: 472.48 g/mol
• Exact Mass: 472.17
• IUPAC Name: 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide
• SMILES: CCOc1cc(-c2cc(OC)ncc2F)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12
• InChI: InChI=1S/C25H21FN6O3/c1-3-35-22-10-20(16-9-24(34-2)28-11-17(16)26)30-19-8-14(4-5-15(19)22)25(33)29-13-23-31-18-6-7-27-12-21(18)32-23/h4-12H,3,13H2,1-2H3,(H,29,33)(H,31,32)
• InChIKey: BQMWFYNLBQBSAV-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 114.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.48
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide?

The IUPAC name of 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide (CID 122431454) is 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide.

What is the SMILES notation for 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide?

The canonical SMILES for 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide is CCOc1cc(-c2cc(OC)ncc2F)nc2cc(C(=O)NCc3nc4ccncc4[nH]3)ccc12.

What is the InChIKey of 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide?

The InChIKey is BQMWFYNLBQBSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O3/c1-3-35-22-10-20(16-9-24(34-2)28-11-17(16)26)30-19-8-14(4-5-15(19)22)25(33)29-13-23-31-18-6-7-27-12-21(18)32-23/h4-12H,3,13H2,1-2H3,(H,29,33)(H,31,32).

What are the key properties of 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide?

4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide has a molecular weight of 472.48 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethoxy-2-(5-fluoro-2-methoxy-4-pyridinyl)-N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)quinoline-7-carboxamide is sourced from PubChem (CID 122431454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).