methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate

C30H26F2N6O5 — CID 143720351

IUPACmethyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
SMILESCOC(=O)c1cccc(-n2c(=O)n(CC3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1
InChIInChI=1S/C30H26F2N6O5/c1-43-29(41)18-3-2-4-22(11-18)38-26-23(12-20(32)13-33-26)28(40)37(30(38)42)14-17-5-8-21(9-6-17)34-27(39)24-16-36-15-19(31)7-10-25(36)35-24/h2-4,7,10-13,15-17,21H,5-6,8-9,14H2,1H3,(H,34,39)
InChIKeyJUCPRDRGRHXOBM-UHFFFAOYSA-N
MW588.57 g/mol
LogP3.25
Rot. Bonds6

About methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate

methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate (PubChem CID 143720351) has the molecular formula C30H26F2N6O5 and a molecular weight of 588.57 g/mol. Its IUPAC name is methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate.

Molecular Properties

Compound Namemethyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
PubChem CID143720351
Molecular FormulaC30H26F2N6O5
Molecular Weight588.57 g/mol
Exact Mass588.19
IUPAC Namemethyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate
SMILESCOC(=O)c1cccc(-n2c(=O)n(CC3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1
InChIInChI=1S/C30H26F2N6O5/c1-43-29(41)18-3-2-4-22(11-18)38-26-23(12-20(32)13-33-26)28(40)37(30(38)42)14-17-5-8-21(9-6-17)34-27(39)24-16-36-15-19(31)7-10-25(36)35-24/h2-4,7,10-13,15-17,21H,5-6,8-9,14H2,1H3,(H,34,39)
InChIKeyJUCPRDRGRHXOBM-UHFFFAOYSA-N
XLogP3.25
TPSA129.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.57
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate 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

N-(2-Fluoro-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)-7-(pyridine-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71283325
methyl 2-[[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]benzoyl]amino]pyridine-4-carboxylate
CID 77107455
Benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate
CID 127031630
Methyl 1-benzyl-5-(cyclohexylmethylamino)-3-(pyridine-3-carbonylamino)pyrrolo[2,3-b]pyridine-2-carboxylate
CID 26228669
US9718828, Example, 132
CID 71222718
US9718828, Example, 107
CID 90323689
3-(5-fluoro-2-methoxy-4-pyridinyl)-2-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)quinoxaline-6-carboxamide
CID 118453972
Ethyl 3-(3-{3-phenyl-3H-imidazo[4,5-B]pyridin-2-YL}propanamido)benzoate
CID 16009217
Ethyl 4-({3-[6-oxopyrido[2,3-E]pyrrolo[1,2-A]pyrazin-5(6H)-YL]propanoyl}amino)benzoate
CID 16018769
Ethyl 3-[4-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)butanoylamino]benzoate
CID 22553519
Methyl 4-[[3-(cyclohexylcarbamoyl)-6-methylimidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate
CID 155549687
Methyl 4-[[3-(butylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]carbamoyl]benzoate
CID 155556783

Frequently Asked Questions

What is the IUPAC name of methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate?
The IUPAC name of methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate (CID 143720351) is methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate.
What is the SMILES notation for methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate?
The canonical SMILES for methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate is COC(=O)c1cccc(-n2c(=O)n(CC3CCC(NC(=O)c4cn5cc(F)ccc5n4)CC3)c(=O)c3cc(F)cnc32)c1.
What is the InChIKey of methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate?
The InChIKey is JUCPRDRGRHXOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F2N6O5/c1-43-29(41)18-3-2-4-22(11-18)38-26-23(12-20(32)13-33-26)28(40)37(30(38)42)14-17-5-8-21(9-6-17)34-27(39)24-16-36-15-19(31)7-10-25(36)35-24/h2-4,7,10-13,15-17,21H,5-6,8-9,14H2,1H3,(H,34,39).
What are the key properties of methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate?
methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate has a molecular weight of 588.57 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[6-fluoro-3-[[4-[(6-fluoroimidazo[1,2-a]pyridine-2-carbonyl)amino]cyclohexyl]methyl]-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]benzoate is sourced from PubChem (CID 143720351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).