(2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one

C20H18F2N4O3 — CID 118685737

IUPAC(2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
SMILESCc1ccc(Oc2c(F)cc(COc3cc4n(c(=O)n3)C[C@H](C)N4)cc2F)cn1
InChIInChI=1S/C20H18F2N4O3/c1-11-3-4-14(8-23-11)29-19-15(21)5-13(6-16(19)22)10-28-18-7-17-24-12(2)9-26(17)20(27)25-18/h3-8,12,24H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyLDHMOFISOWSWOS-LBPRGKRZSA-N
MW400.39 g/mol
LogP3.41
Rot. Bonds5

About (2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one

(2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 118685737) has the molecular formula C20H18F2N4O3 and a molecular weight of 400.39 g/mol. Its IUPAC name is (2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name(2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID118685737
Molecular FormulaC20H18F2N4O3
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Name(2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one
SMILESCc1ccc(Oc2c(F)cc(COc3cc4n(c(=O)n3)C[C@H](C)N4)cc2F)cn1
InChIInChI=1S/C20H18F2N4O3/c1-11-3-4-14(8-23-11)29-19-15(21)5-13(6-16(19)22)10-28-18-7-17-24-12(2)9-26(17)20(27)25-18/h3-8,12,24H,9-10H2,1-2H3/t12-/m0/s1
InChIKeyLDHMOFISOWSWOS-LBPRGKRZSA-N
XLogP3.41
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-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 (2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of (2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one (CID 118685737) is (2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for (2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for (2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one is Cc1ccc(Oc2c(F)cc(COc3cc4n(c(=O)n3)C[C@H](C)N4)cc2F)cn1.
What is the InChIKey of (2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is LDHMOFISOWSWOS-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H18F2N4O3/c1-11-3-4-14(8-23-11)29-19-15(21)5-13(6-16(19)22)10-28-18-7-17-24-12(2)9-26(17)20(27)25-18/h3-8,12,24H,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one?
(2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 400.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-[[3,5-difluoro-4-[(6-methyl-3-pyridinyl)oxy]phenyl]methoxy]-2-methyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 118685737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).