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

C42H43F2N7O5S — CID 25124475

IUPACN-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3cc(C)c(C4CCN(CCS(C)(=O)=O)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C42H43F2N7O5S/c1-5-56-35-13-12-28(24-30(35)41(52)49-39-31(43)9-8-10-32(39)44)38-40(51-18-7-6-11-37(51)48-38)33-14-17-45-42(46-33)47-34-23-26(2)29(25-36(34)55-3)27-15-19-50(20-16-27)21-22-57(4,53)54/h6-14,17-18,23-25,27H,5,15-16,19-22H2,1-4H3,(H,49,52)(H,45,46,47)
InChIKeyUZNZGQYTJKDVSH-UHFFFAOYSA-N
MW795.91 g/mol
LogP7.67
Rot. Bonds13

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

N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 25124475) has the molecular formula C42H43F2N7O5S and a molecular weight of 795.91 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
PubChem CID25124475
Molecular FormulaC42H43F2N7O5S
Molecular Weight795.91 g/mol
Exact Mass795.30
IUPAC NameN-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3cc(C)c(C4CCN(CCS(C)(=O)=O)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C42H43F2N7O5S/c1-5-56-35-13-12-28(24-30(35)41(52)49-39-31(43)9-8-10-32(39)44)38-40(51-18-7-6-11-37(51)48-38)33-14-17-45-42(46-33)47-34-23-26(2)29(25-36(34)55-3)27-15-19-50(20-16-27)21-22-57(4,53)54/h6-14,17-18,23-25,27H,5,15-16,19-22H2,1-4H3,(H,49,52)(H,45,46,47)
InChIKeyUZNZGQYTJKDVSH-UHFFFAOYSA-N
XLogP7.67
TPSA140.05 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500795.91
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (CID 25124475) is N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-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-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is CCOc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3cc(C)c(C4CCN(CCS(C)(=O)=O)CC4)cc3OC)n2)cc1C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The InChIKey is UZNZGQYTJKDVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H43F2N7O5S/c1-5-56-35-13-12-28(24-30(35)41(52)49-39-31(43)9-8-10-32(39)44)38-40(51-18-7-6-11-37(51)48-38)33-14-17-45-42(46-33)47-34-23-26(2)29(25-36(34)55-3)27-15-19-50(20-16-27)21-22-57(4,53)54/h6-14,17-18,23-25,27H,5,15-16,19-22H2,1-4H3,(H,49,52)(H,45,46,47).
What are the key properties of N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 795.91 g/mol, XLogP of 7.67, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-ethoxy-5-[3-[2-[2-methoxy-5-methyl-4-[1-(2-methylsulfonylethyl)piperidin-4-yl]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 25124475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).