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

C22H20F2N4O2 — CID 139421225

IUPAC7-(3,5-difluorophenyl)-4-ethenyl-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESC=Cc1c2n(c(Nc3ccc(OC)nc3C)nc1=O)C(c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C22H20F2N4O2/c1-4-16-19-7-6-18(13-9-14(23)11-15(24)10-13)28(19)22(27-21(16)29)26-17-5-8-20(30-3)25-12(17)2/h4-5,8-11,18H,1,6-7H2,2-3H3,(H,26,27,29)
InChIKeyNHJCXUBXLMCFOR-UHFFFAOYSA-N
MW410.42 g/mol
LogP4.16
Rot. Bonds5

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

7-(3,5-difluorophenyl)-4-ethenyl-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (PubChem CID 139421225) has the molecular formula C22H20F2N4O2 and a molecular weight of 410.42 g/mol. Its IUPAC name is 7-(3,5-difluorophenyl)-4-ethenyl-1-[(6-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-ethenyl-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
PubChem CID139421225
Molecular FormulaC22H20F2N4O2
Molecular Weight410.42 g/mol
Exact Mass410.16
IUPAC Name7-(3,5-difluorophenyl)-4-ethenyl-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one
SMILESC=Cc1c2n(c(Nc3ccc(OC)nc3C)nc1=O)C(c1cc(F)cc(F)c1)CC2
InChIInChI=1S/C22H20F2N4O2/c1-4-16-19-7-6-18(13-9-14(23)11-15(24)10-13)28(19)22(27-21(16)29)26-17-5-8-20(30-3)25-12(17)2/h4-5,8-11,18H,1,6-7H2,2-3H3,(H,26,27,29)
InChIKeyNHJCXUBXLMCFOR-UHFFFAOYSA-N
XLogP4.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-(3,5-difluorophenyl)-4-ethenyl-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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Related Compounds

2-[[6-(Difluoromethoxy)-2,5-dimethylpyridin-3-yl]amino]-5-fluoro-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134290226
1-[(3,5-Difluorophenyl)methyl]-5-fluoro-2-[(6-fluoro-5-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134290902
1-[(3,5-Difluorophenyl)methyl]-5-fluoro-2-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134290932
1-[(3-Chloro-4-fluorophenyl)methyl]-5-fluoro-2-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134291048
5-Fluoro-2-[(6-fluoro-5-methoxy-2-methyl-3-pyridinyl)amino]-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291159
3-[(6-Methoxy-2-methyl-3-pyridinyl)amino]-6-methyl-2-[(3,4,5-trifluorophenyl)methyl]-1,2,4-triazin-5-one
CID 134291270
5-Fluoro-2-[(6-methoxy-2-methyl-3-pyridinyl)amino]-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291397
1-[(3,4-Difluorophenyl)methyl]-5-fluoro-2-[(6-methoxy-2,5-dimethyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134291409
1-[(3,5-Difluorophenyl)methyl]-5-fluoro-2-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134291491
1-[(3,4-Difluorophenyl)methyl]-5-fluoro-2-[(6-methoxy-2-methyl-3-pyridinyl)amino]pyrimidin-4-one
CID 134291509
2-[(5,6-Dimethoxy-2-methyl-3-pyridinyl)amino]-5-fluoro-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134291551
2-[[6-(Difluoromethoxy)-2,5-dimethylpyridin-3-yl]amino]-1-[(3,5-difluorophenyl)methyl]-5-fluoropyrimidin-4-one
CID 134291594

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-difluorophenyl)-4-ethenyl-1-[(6-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-ethenyl-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one (CID 139421225) is 7-(3,5-difluorophenyl)-4-ethenyl-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-(3,5-difluorophenyl)-4-ethenyl-1-[(6-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-ethenyl-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is C=Cc1c2n(c(Nc3ccc(OC)nc3C)nc1=O)C(c1cc(F)cc(F)c1)CC2.
What is the InChIKey of 7-(3,5-difluorophenyl)-4-ethenyl-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
The InChIKey is NHJCXUBXLMCFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N4O2/c1-4-16-19-7-6-18(13-9-14(23)11-15(24)10-13)28(19)22(27-21(16)29)26-17-5-8-20(30-3)25-12(17)2/h4-5,8-11,18H,1,6-7H2,2-3H3,(H,26,27,29).
What are the key properties of 7-(3,5-difluorophenyl)-4-ethenyl-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one?
7-(3,5-difluorophenyl)-4-ethenyl-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one has a molecular weight of 410.42 g/mol, XLogP of 4.16, 5 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-ethenyl-1-[(6-methoxy-2-methyl-3-pyridinyl)amino]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidin-3-one is sourced from PubChem (CID 139421225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).