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

C20H17F3N4O2 — CID 139421180

IUPAC7-(2,4-difluorophenyl)-4-fluoro-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(c2ccc(F)cc2F)CC3)c(C)n1
InChIInChI=1S/C20H17F3N4O2/c1-10-14(5-8-17(24-10)29-2)25-20-26-19(28)18(23)16-7-6-15(27(16)20)12-4-3-11(21)9-13(12)22/h3-5,8-9,15H,6-7H2,1-2H3,(H,25,26,28)
InChIKeyDGIXXTQHKGVJJQ-UHFFFAOYSA-N
MW402.38 g/mol
LogP3.65
Rot. Bonds4

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

7-(2,4-difluorophenyl)-4-fluoro-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 139421180) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is 7-(2,4-difluorophenyl)-4-fluoro-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(2,4-difluorophenyl)-4-fluoro-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
PubChem CID139421180
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name7-(2,4-difluorophenyl)-4-fluoro-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(c2ccc(F)cc2F)CC3)c(C)n1
InChIInChI=1S/C20H17F3N4O2/c1-10-14(5-8-17(24-10)29-2)25-20-26-19(28)18(23)16-7-6-15(27(16)20)12-4-3-11(21)9-13(12)22/h3-5,8-9,15H,6-7H2,1-2H3,(H,25,26,28)
InChIKeyDGIXXTQHKGVJJQ-UHFFFAOYSA-N
XLogP3.65
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenyl)-4-fluoro-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The IUPAC name of 7-(2,4-difluorophenyl)-4-fluoro-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 139421180) is 7-(2,4-difluorophenyl)-4-fluoro-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 7-(2,4-difluorophenyl)-4-fluoro-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The canonical SMILES for 7-(2,4-difluorophenyl)-4-fluoro-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(c2ccc(F)cc2F)CC3)c(C)n1.
What is the InChIKey of 7-(2,4-difluorophenyl)-4-fluoro-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The InChIKey is DGIXXTQHKGVJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c1-10-14(5-8-17(24-10)29-2)25-20-26-19(28)18(23)16-7-6-15(27(16)20)12-4-3-11(21)9-13(12)22/h3-5,8-9,15H,6-7H2,1-2H3,(H,25,26,28).
What are the key properties of 7-(2,4-difluorophenyl)-4-fluoro-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
7-(2,4-difluorophenyl)-4-fluoro-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one has a molecular weight of 402.38 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenyl)-4-fluoro-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 139421180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).