7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

C25H21F2N3O4 — CID 167008803

IUPAC7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(Oc2ccc3ncc(C)c(=O)n3c2)cnc1OCc1ccc(C2CC2(F)F)cc1
InChIInChI=1S/C25H21F2N3O4/c1-15-11-28-22-8-7-18(13-30(22)24(15)31)34-19-9-21(32-2)23(29-12-19)33-14-16-3-5-17(6-4-16)20-10-25(20,26)27/h3-9,11-13,20H,10,14H2,1-2H3
InChIKeyPXRCJYGVZSNRJZ-UHFFFAOYSA-N
MW465.46 g/mol
LogP4.90
Rot. Bonds7

About 7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one

7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 167008803) has the molecular formula C25H21F2N3O4 and a molecular weight of 465.46 g/mol. Its IUPAC name is 7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID167008803
Molecular FormulaC25H21F2N3O4
Molecular Weight465.46 g/mol
Exact Mass465.15
IUPAC Name7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(Oc2ccc3ncc(C)c(=O)n3c2)cnc1OCc1ccc(C2CC2(F)F)cc1
InChIInChI=1S/C25H21F2N3O4/c1-15-11-28-22-8-7-18(13-30(22)24(15)31)34-19-9-21(32-2)23(29-12-19)33-14-16-3-5-17(6-4-16)20-10-25(20,26)27/h3-9,11-13,20H,10,14H2,1-2H3
InChIKeyPXRCJYGVZSNRJZ-UHFFFAOYSA-N
XLogP4.90
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 167008803) is 7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is COc1cc(Oc2ccc3ncc(C)c(=O)n3c2)cnc1OCc1ccc(C2CC2(F)F)cc1.
What is the InChIKey of 7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PXRCJYGVZSNRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O4/c1-15-11-28-22-8-7-18(13-30(22)24(15)31)34-19-9-21(32-2)23(29-12-19)33-14-16-3-5-17(6-4-16)20-10-25(20,26)27/h3-9,11-13,20H,10,14H2,1-2H3.
What are the key properties of 7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 465.46 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[[4-(2,2-difluorocyclopropyl)phenyl]methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167008803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).