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

C25H22FN3O4 — CID 167008816

IUPAC7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(Oc2ccc3ncc(C)c(=O)n3c2)cnc1OCc1ccc(C2CC2)cc1F
InChIInChI=1S/C25H22FN3O4/c1-15-11-27-23-8-7-19(13-29(23)25(15)30)33-20-10-22(31-2)24(28-12-20)32-14-18-6-5-17(9-21(18)26)16-3-4-16/h5-13,16H,3-4,14H2,1-2H3
InChIKeyNVEUUVLFAUESMH-UHFFFAOYSA-N
MW447.47 g/mol
LogP4.79
Rot. Bonds7

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

7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 167008816) has the molecular formula C25H22FN3O4 and a molecular weight of 447.47 g/mol. Its IUPAC name is 7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID167008816
Molecular FormulaC25H22FN3O4
Molecular Weight447.47 g/mol
Exact Mass447.16
IUPAC Name7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(Oc2ccc3ncc(C)c(=O)n3c2)cnc1OCc1ccc(C2CC2)cc1F
InChIInChI=1S/C25H22FN3O4/c1-15-11-27-23-8-7-19(13-29(23)25(15)30)33-20-10-22(31-2)24(28-12-20)32-14-18-6-5-17(9-21(18)26)16-3-4-16/h5-13,16H,3-4,14H2,1-2H3
InChIKeyNVEUUVLFAUESMH-UHFFFAOYSA-N
XLogP4.79
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 167008816) is 7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is COc1cc(Oc2ccc3ncc(C)c(=O)n3c2)cnc1OCc1ccc(C2CC2)cc1F.
What is the InChIKey of 7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NVEUUVLFAUESMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O4/c1-15-11-27-23-8-7-19(13-29(23)25(15)30)33-20-10-22(31-2)24(28-12-20)32-14-18-6-5-17(9-21(18)26)16-3-4-16/h5-13,16H,3-4,14H2,1-2H3.
What are the key properties of 7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 447.47 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(4-cyclopropyl-2-fluorophenyl)methoxy]-5-methoxy-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167008816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).