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

C42H42F2N8O2 — CID 59452650

IUPACN-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCOc1cc(N2CCC(N3CCCCC3)CC2)c(C)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
InChIInChI=1S/C42H42F2N8O2/c1-27-24-34(36(54-2)26-35(27)51-22-16-30(17-23-51)50-19-5-3-6-20-50)47-42-45-18-15-33(46-42)40-38(48-37-14-4-7-21-52(37)40)28-10-8-11-29(25-28)41(53)49-39-31(43)12-9-13-32(39)44/h4,7-15,18,21,24-26,30H,3,5-6,16-17,19-20,22-23H2,1-2H3,(H,49,53)(H,45,46,47)
InChIKeyGPOXREFACYVEDP-UHFFFAOYSA-N
MW728.85 g/mol
LogP8.50
Rot. Bonds9

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

N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 59452650) has the molecular formula C42H42F2N8O2 and a molecular weight of 728.85 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
PubChem CID59452650
Molecular FormulaC42H42F2N8O2
Molecular Weight728.85 g/mol
Exact Mass728.34
IUPAC NameN-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCOc1cc(N2CCC(N3CCCCC3)CC2)c(C)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
InChIInChI=1S/C42H42F2N8O2/c1-27-24-34(36(54-2)26-35(27)51-22-16-30(17-23-51)50-19-5-3-6-20-50)47-42-45-18-15-33(46-42)40-38(48-37-14-4-7-21-52(37)40)28-10-8-11-29(25-28)41(53)49-39-31(43)12-9-13-32(39)44/h4,7-15,18,21,24-26,30H,3,5-6,16-17,19-20,22-23H2,1-2H3,(H,49,53)(H,45,46,47)
InChIKeyGPOXREFACYVEDP-UHFFFAOYSA-N
XLogP8.50
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.85
LogP ≤ 58.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-5-methyl-4-(4-piperidin-1-ylpiperidin-1-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)-3-[3-[2-[2-methoxy-5-methyl-4-(4-piperidin-1-ylpiperidin-1-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-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (CID 59452650) is N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-5-methyl-4-(4-piperidin-1-ylpiperidin-1-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-5-methyl-4-(4-piperidin-1-ylpiperidin-1-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-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is COc1cc(N2CCC(N3CCCCC3)CC2)c(C)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The InChIKey is GPOXREFACYVEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H42F2N8O2/c1-27-24-34(36(54-2)26-35(27)51-22-16-30(17-23-51)50-19-5-3-6-20-50)47-42-45-18-15-33(46-42)40-38(48-37-14-4-7-21-52(37)40)28-10-8-11-29(25-28)41(53)49-39-31(43)12-9-13-32(39)44/h4,7-15,18,21,24-26,30H,3,5-6,16-17,19-20,22-23H2,1-2H3,(H,49,53)(H,45,46,47).
What are the key properties of N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 728.85 g/mol, XLogP of 8.50, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 59452650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).