4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one

C20H20F2N4O2 — CID 139421303

IUPAC4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCOc1ccc(Nc2nc(=O)c(F)c3n2C(C2=CC=C(F)CC2)CC3)c(C)n1
InChIInChI=1S/C20H20F2N4O2/c1-11-14(7-10-17(23-11)28-2)24-20-25-19(27)18(22)16-9-8-15(26(16)20)12-3-5-13(21)6-4-12/h3,5,7,10,15H,4,6,8-9H2,1-2H3,(H,24,25,27)
InChIKeyRFMLGJTUDFYSMZ-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.90
Rot. Bonds4

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

4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 139421303) has the molecular formula C20H20F2N4O2 and a molecular weight of 386.40 g/mol. Its IUPAC name is 4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
PubChem CID139421303
Molecular FormulaC20H20F2N4O2
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCOc1ccc(Nc2nc(=O)c(F)c3n2C(C2=CC=C(F)CC2)CC3)c(C)n1
InChIInChI=1S/C20H20F2N4O2/c1-11-14(7-10-17(23-11)28-2)24-20-25-19(27)18(22)16-9-8-15(26(16)20)12-3-5-13(21)6-4-12/h3,5,7,10,15H,4,6,8-9H2,1-2H3,(H,24,25,27)
InChIKeyRFMLGJTUDFYSMZ-UHFFFAOYSA-N
XLogP3.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-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

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The IUPAC name of 4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 139421303) is 4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The canonical SMILES for 4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is COc1ccc(Nc2nc(=O)c(F)c3n2C(C2=CC=C(F)CC2)CC3)c(C)n1.
What is the InChIKey of 4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The InChIKey is RFMLGJTUDFYSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2/c1-11-14(7-10-17(23-11)28-2)24-20-25-19(27)18(22)16-9-8-15(26(16)20)12-3-5-13(21)6-4-12/h3,5,7,10,15H,4,6,8-9H2,1-2H3,(H,24,25,27).
What are the key properties of 4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one has a molecular weight of 386.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-(4-fluorocyclohexa-1,3-dien-1-yl)-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 139421303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).