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

C39H37F2N7O2 — CID 59452875

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

N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 59452875) has the molecular formula C39H37F2N7O2 and a molecular weight of 673.77 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

• Compound Name: N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
• PubChem CID: 59452875
• Molecular Formula: C39H37F2N7O2
• Molecular Weight: 673.77 g/mol
• Exact Mass: 673.30
• IUPAC Name: N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
• SMILES: CCCN1CCC(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6c(F)cccc6F)c5)nc5ccccn45)n3)c(OC)c2)CC1
• InChI: InChI=1S/C39H37F2N7O2/c1-3-19-47-21-16-25(17-22-47)26-13-14-31(33(24-26)50-2)43-39-42-18-15-32(44-39)37-35(45-34-12-4-5-20-48(34)37)27-8-6-9-28(23-27)38(49)46-36-29(40)10-7-11-30(36)41/h4-15,18,20,23-25H,3,16-17,19,21-22H2,1-2H3,(H,46,49)(H,42,43,44)
• InChIKey: WYQUWFMPQIUMAM-UHFFFAOYSA-N
• XLogP: 8.33
• TPSA: 96.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	673.77
LogP ≤ 5	8.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (CID 59452875) is N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.

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

The canonical SMILES for N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is CCCN1CCC(c2ccc(Nc3nccc(-c4c(-c5cccc(C(=O)Nc6c(F)cccc6F)c5)nc5ccccn45)n3)c(OC)c2)CC1.

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

The InChIKey is WYQUWFMPQIUMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H37F2N7O2/c1-3-19-47-21-16-25(17-22-47)26-13-14-31(33(24-26)50-2)43-39-42-18-15-32(44-39)37-35(45-34-12-4-5-20-48(34)37)27-8-6-9-28(23-27)38(49)46-36-29(40)10-7-11-30(36)41/h4-15,18,20,23-25H,3,16-17,19,21-22H2,1-2H3,(H,46,49)(H,42,43,44).

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

N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 673.77 g/mol, XLogP of 8.33, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 59452875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).