N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide

C34H29F2N7O3 — CID 71043986

About N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide

N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 71043986) has the molecular formula C34H29F2N7O3 and a molecular weight of 621.65 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
• PubChem CID: 71043986
• Molecular Formula: C34H29F2N7O3
• Molecular Weight: 621.65 g/mol
• Exact Mass: 621.23
• IUPAC Name: N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
• SMILES: CNCCOc1cccc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c1
• InChI: InChI=1S/C34H29F2N7O3/c1-37-16-18-46-23-8-5-7-22(20-23)39-34-38-15-14-27(40-34)32-30(41-29-11-3-4-17-43(29)32)21-12-13-28(45-2)24(19-21)33(44)42-31-25(35)9-6-10-26(31)36/h3-15,17,19-20,37H,16,18H2,1-2H3,(H,42,44)(H,38,39,40)
• InChIKey: IUQMQFNFPMWSBC-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 114.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	621.65
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?

The IUPAC name of N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (CID 71043986) is N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.

What is the SMILES notation for N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?

The canonical SMILES for N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is CNCCOc1cccc(Nc2nccc(-c3c(-c4ccc(OC)c(C(=O)Nc5c(F)cccc5F)c4)nc4ccccn34)n2)c1.

What is the InChIKey of N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?

The InChIKey is IUQMQFNFPMWSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29F2N7O3/c1-37-16-18-46-23-8-5-7-22(20-23)39-34-38-15-14-27(40-34)32-30(41-29-11-3-4-17-43(29)32)21-12-13-28(45-2)24(19-21)33(44)42-31-25(35)9-6-10-26(31)36/h3-15,17,19-20,37H,16,18H2,1-2H3,(H,42,44)(H,38,39,40).

What are the key properties of N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?

N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 621.65 g/mol, XLogP of 6.34, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-difluorophenyl)-2-methoxy-5-[3-[2-[3-[2-(methylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 71043986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).