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

C40H39F2N7O3 — CID 59452573

About N-(2,6-difluorophenyl)-2-methoxy-5-[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)-2-methoxy-5-[3-[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 59452573) has the molecular formula C40H39F2N7O3 and a molecular weight of 703.79 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-methoxy-5-[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)-2-methoxy-5-[3-[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
• PubChem CID: 59452573
• Molecular Formula: C40H39F2N7O3
• Molecular Weight: 703.79 g/mol
• Exact Mass: 703.31
• IUPAC Name: N-(2,6-difluorophenyl)-2-methoxy-5-[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(-c5ccc(OC)c(C(=O)Nc6c(F)cccc6F)c5)nc5ccccn45)n3)c(OC)c2)CC1
• InChI: InChI=1S/C40H39F2N7O3/c1-4-19-48-21-16-25(17-22-48)26-11-13-31(34(24-26)52-3)44-40-43-18-15-32(45-40)38-36(46-35-10-5-6-20-49(35)38)27-12-14-33(51-2)28(23-27)39(50)47-37-29(41)8-7-9-30(37)42/h5-15,18,20,23-25H,4,16-17,19,21-22H2,1-3H3,(H,47,50)(H,43,44,45)
• InChIKey: HVTCTUCTHJXITI-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 105.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	703.79
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-methoxy-5-[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)-2-methoxy-5-[3-[2-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (CID 59452573) is N-(2,6-difluorophenyl)-2-methoxy-5-[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)-2-methoxy-5-[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)-2-methoxy-5-[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(-c5ccc(OC)c(C(=O)Nc6c(F)cccc6F)c5)nc5ccccn45)n3)c(OC)c2)CC1.

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

The InChIKey is HVTCTUCTHJXITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39F2N7O3/c1-4-19-48-21-16-25(17-22-48)26-11-13-31(34(24-26)52-3)44-40-43-18-15-32(45-40)38-36(46-35-10-5-6-20-49(35)38)27-12-14-33(51-2)28(23-27)39(50)47-37-29(41)8-7-9-30(37)42/h5-15,18,20,23-25H,4,16-17,19,21-22H2,1-3H3,(H,47,50)(H,43,44,45).

What are the key properties of N-(2,6-difluorophenyl)-2-methoxy-5-[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)-2-methoxy-5-[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 703.79 g/mol, XLogP of 8.34, 11 rotatable bonds, 2 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-[2-methoxy-4-(1-propylpiperidin-4-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 59452573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).