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

C20H17F3N4O2 — CID 139421219

IUPAC7-(3,5-difluorophenyl)-4-fluoro-1-[(5-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCOc1cnc(C)c(Nc2nc(=O)c(F)c3n2C(c2cc(F)cc(F)c2)CC3)c1
InChIInChI=1S/C20H17F3N4O2/c1-10-15(8-14(29-2)9-24-10)25-20-26-19(28)18(23)17-4-3-16(27(17)20)11-5-12(21)7-13(22)6-11/h5-9,16H,3-4H2,1-2H3,(H,25,26,28)
InChIKeySQIGDINGSURVHB-UHFFFAOYSA-N
MW402.38 g/mol
LogP3.65
Rot. Bonds4

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

7-(3,5-difluorophenyl)-4-fluoro-1-[(5-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 139421219) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-4-fluoro-1-[(5-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(3,5-difluorophenyl)-4-fluoro-1-[(5-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
PubChem CID139421219
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name7-(3,5-difluorophenyl)-4-fluoro-1-[(5-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESCOc1cnc(C)c(Nc2nc(=O)c(F)c3n2C(c2cc(F)cc(F)c2)CC3)c1
InChIInChI=1S/C20H17F3N4O2/c1-10-15(8-14(29-2)9-24-10)25-20-26-19(28)18(23)17-4-3-16(27(17)20)11-5-12(21)7-13(22)6-11/h5-9,16H,3-4H2,1-2H3,(H,25,26,28)
InChIKeySQIGDINGSURVHB-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-(3,5-difluorophenyl)-4-fluoro-1-[(5-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-(3,5-difluorophenyl)-4-fluoro-1-[(5-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The IUPAC name of 7-(3,5-difluorophenyl)-4-fluoro-1-[(5-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 139421219) is 7-(3,5-difluorophenyl)-4-fluoro-1-[(5-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one.
What is the SMILES notation for 7-(3,5-difluorophenyl)-4-fluoro-1-[(5-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The canonical SMILES for 7-(3,5-difluorophenyl)-4-fluoro-1-[(5-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is COc1cnc(C)c(Nc2nc(=O)c(F)c3n2C(c2cc(F)cc(F)c2)CC3)c1.
What is the InChIKey of 7-(3,5-difluorophenyl)-4-fluoro-1-[(5-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The InChIKey is SQIGDINGSURVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c1-10-15(8-14(29-2)9-24-10)25-20-26-19(28)18(23)17-4-3-16(27(17)20)11-5-12(21)7-13(22)6-11/h5-9,16H,3-4H2,1-2H3,(H,25,26,28).
What are the key properties of 7-(3,5-difluorophenyl)-4-fluoro-1-[(5-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
7-(3,5-difluorophenyl)-4-fluoro-1-[(5-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-(3,5-difluorophenyl)-4-fluoro-1-[(5-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 139421219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).