7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

C21H18F4N4O2 — CID 139421227

IUPAC7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCCOc1nc(C)c(Nc2nc(=O)c(F)c3n2C(c2ccc(F)cc2F)CC3)cc1F
InChIInChI=1S/C21H18F4N4O2/c1-3-31-20-14(24)9-15(10(2)26-20)27-21-28-19(30)18(25)17-7-6-16(29(17)21)12-5-4-11(22)8-13(12)23/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,27,28,30)
InChIKeyRKTMNTIXVQKOJE-UHFFFAOYSA-N
MW434.39 g/mol
LogP4.18
Rot. Bonds5

About 7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 139421227) has the molecular formula C21H18F4N4O2 and a molecular weight of 434.39 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
PubChem CID139421227
Molecular FormulaC21H18F4N4O2
Molecular Weight434.39 g/mol
Exact Mass434.14
IUPAC Name7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCCOc1nc(C)c(Nc2nc(=O)c(F)c3n2C(c2ccc(F)cc2F)CC3)cc1F
InChIInChI=1S/C21H18F4N4O2/c1-3-31-20-14(24)9-15(10(2)26-20)27-21-28-19(30)18(25)17-7-6-16(29(17)21)12-5-4-11(22)8-13(12)23/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,27,28,30)
InChIKeyRKTMNTIXVQKOJE-UHFFFAOYSA-N
XLogP4.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one 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

7-(3,5-difluorophenyl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-4-phenyl-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
CID 139421693
2-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]-1-[(3,4,5-trifluorophenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 145412385
methyl 6-(2,4-difluorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17442427
(E)-N-[(E)-1-[[7-(2,4-difluorophenyl)-3-oxo-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-1-yl]amino]prop-1-en-2-yl]-2-fluorobut-2-enamide;ethane
CID 142331831
7-(2,4-difluorophenyl)-1-[(6-ethoxy-2-ethyl-3-pyridinyl)imino]-4-fluoro-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c]pyrimidin-3-one
CID 162370567
1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134290932
ethyl (4R)-4-(2,4-difluorophenyl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CID 9449227
(4R)-N-(2-ethoxy-3-pyridinyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 34952145
N-(2,4-difluorophenyl)-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005723
1-(3-ethoxyquinoxalin-2-yl)-N-(4-fluoro-2-methylphenyl)piperidine-4-carboxamide
CID 46367981
methyl (6R)-6-(2,4-difluorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 9449396
1-[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-fluorophenyl]-4-(2,4-difluorophenyl)-3-ethylimidazolidin-2-one
CID 145275615

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The IUPAC name of 7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 139421227) is 7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The canonical SMILES for 7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is CCOc1nc(C)c(Nc2nc(=O)c(F)c3n2C(c2ccc(F)cc2F)CC3)cc1F.
What is the InChIKey of 7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The InChIKey is RKTMNTIXVQKOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N4O2/c1-3-31-20-14(24)9-15(10(2)26-20)27-21-28-19(30)18(25)17-7-6-16(29(17)21)12-5-4-11(22)8-13(12)23/h4-5,8-9,16H,3,6-7H2,1-2H3,(H,27,28,30).
What are the key properties of 7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one has a molecular weight of 434.39 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-1-[(6-ethoxy-5-fluoro-2-methyl-3-pyridinyl)amino]-4-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 139421227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).