N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide

C42H41F3N8O3 — CID 59452936

About N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide

N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide (PubChem CID 59452936) has the molecular formula C42H41F3N8O3 and a molecular weight of 762.84 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide
• PubChem CID: 59452936
• Molecular Formula: C42H41F3N8O3
• Molecular Weight: 762.84 g/mol
• Exact Mass: 762.33
• IUPAC Name: N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide
• SMILES: COc1cc(N2CCC(N3CCCCC3)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3cc(F)ccn23)n1
• InChI: InChI=1S/C42H41F3N8O3/c1-55-35-12-9-26(23-30(35)41(54)50-39-31(44)7-6-8-32(39)45)38-40(53-22-14-27(43)24-37(53)49-38)34-13-17-46-42(48-34)47-33-11-10-29(25-36(33)56-2)52-20-15-28(16-21-52)51-18-4-3-5-19-51/h6-14,17,22-25,28H,3-5,15-16,18-21H2,1-2H3,(H,50,54)(H,46,47,48)
• InChIKey: FDYVCVGOCWYNGV-UHFFFAOYSA-N
• XLogP: 8.34
• TPSA: 109.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.84
LogP ≤ 5	8.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide?

The IUPAC name of N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide (CID 59452936) is N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide.

What is the SMILES notation for N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide?

The canonical SMILES for N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide is COc1cc(N2CCC(N3CCCCC3)CC2)ccc1Nc1nccc(-c2c(-c3ccc(OC)c(C(=O)Nc4c(F)cccc4F)c3)nc3cc(F)ccn23)n1.

What is the InChIKey of N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide?

The InChIKey is FDYVCVGOCWYNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H41F3N8O3/c1-55-35-12-9-26(23-30(35)41(54)50-39-31(44)7-6-8-32(39)45)38-40(53-22-14-27(43)24-37(53)49-38)34-13-17-46-42(48-34)47-33-11-10-29(25-36(33)56-2)52-20-15-28(16-21-52)51-18-4-3-5-19-51/h6-14,17,22-25,28H,3-5,15-16,18-21H2,1-2H3,(H,50,54)(H,46,47,48).

What are the key properties of N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide?

N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide has a molecular weight of 762.84 g/mol, XLogP of 8.34, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-difluorophenyl)-5-[7-fluoro-3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 59452936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).