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

C38H34F3N7O2 — CID 59452598

IUPACN-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCOc1cc(CCN2CCCCC2)c(F)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
InChIInChI=1S/C38H34F3N7O2/c1-50-32-22-24(15-20-47-17-4-2-5-18-47)29(41)23-31(32)44-38-42-16-14-30(43-38)36-34(45-33-13-3-6-19-48(33)36)25-9-7-10-26(21-25)37(49)46-35-27(39)11-8-12-28(35)40/h3,6-14,16,19,21-23H,2,4-5,15,17-18,20H2,1H3,(H,46,49)(H,42,43,44)
InChIKeyLZLZAMJAYXYMOK-UHFFFAOYSA-N
MW677.73 g/mol
LogP7.91
Rot. Bonds10

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

N-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (PubChem CID 59452598) has the molecular formula C38H34F3N7O2 and a molecular weight of 677.73 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
PubChem CID59452598
Molecular FormulaC38H34F3N7O2
Molecular Weight677.73 g/mol
Exact Mass677.27
IUPAC NameN-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
SMILESCOc1cc(CCN2CCCCC2)c(F)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1
InChIInChI=1S/C38H34F3N7O2/c1-50-32-22-24(15-20-47-17-4-2-5-18-47)29(41)23-31(32)44-38-42-16-14-30(43-38)36-34(45-33-13-3-6-19-48(33)36)25-9-7-10-26(21-25)37(49)46-35-27(39)11-8-12-28(35)40/h3,6-14,16,19,21-23H,2,4-5,15,17-18,20H2,1H3,(H,46,49)(H,42,43,44)
InChIKeyLZLZAMJAYXYMOK-UHFFFAOYSA-N
XLogP7.91
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.73
LogP ≤ 57.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)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

Related Compounds

4-fluoro-2-[(2-{[2-methoxy-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218598
4-Fluoro-2-((2-((2-methoxy-4-(1-propylpiperidin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218600
4-fluoro-2-[(2-{[2-methoxy-4-(1-propylpiperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218601
4-(8-amino-3-((6R,8aS)-3-oxooctahydroindolizin-6-yl)imidazo[1,5-a]pyrazin-1-yl)-3-methoxy-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
CID 76902376
N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-5,6-dihydropyrimido[4,5-e]indolizine-7-carboxamide
CID 122632882
N-[2-methyl-5-(morpholin-4-ylmethyl)phenyl]-4-[[9-methyl-6-[4-(trifluoromethoxy)phenyl]purin-2-yl]amino]benzamide
CID 118706742
Pyrazolo[3,4-d]pyrimidine 5
CID 6539956
Plk1/brd4-IN-1
CID 156775102
N-(2,6-difluorophenyl)-3-(3-(2-(3-(2-(dimethylamino)ethoxy)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571810
N-[4-[[2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-6-fluoroimidazo[1,2-a]pyridine-2-carboxamide
CID 59190453
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-(difluoromethoxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76903329
4-{[(6r)-7-Cyano-5-Cyclopentyl-6-Ethyl-5,6-Dihydroimidazo[1,5-F]pteridin-3-Yl]amino}-3-Methoxy-N-(1-Methylpiperidin-4-Yl)benzamide
CID 124201651

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide (CID 59452598) is N-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)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-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is COc1cc(CCN2CCCCC2)c(F)cc1Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
The InChIKey is LZLZAMJAYXYMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34F3N7O2/c1-50-32-22-24(15-20-47-17-4-2-5-18-47)29(41)23-31(32)44-38-42-16-14-30(43-38)36-34(45-33-13-3-6-19-48(33)36)25-9-7-10-26(21-25)37(49)46-35-27(39)11-8-12-28(35)40/h3,6-14,16,19,21-23H,2,4-5,15,17-18,20H2,1H3,(H,46,49)(H,42,43,44).
What are the key properties of N-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide?
N-(2,6-difluorophenyl)-3-[3-[2-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide has a molecular weight of 677.73 g/mol, XLogP of 7.91, 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-[5-fluoro-2-methoxy-4-(2-piperidin-1-ylethyl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 59452598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).