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

C21H15ClFN3O3 — CID 167008813

IUPAC7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2ccc(Oc3ccc(OCc4ccc(F)c(Cl)c4)nc3)cn2c1=O
InChIInChI=1S/C21H15ClFN3O3/c1-13-9-24-19-6-3-16(11-26(19)21(13)27)29-15-4-7-20(25-10-15)28-12-14-2-5-18(23)17(22)8-14/h2-11H,12H2,1H3
InChIKeyPFAHXDCCGMDYNG-UHFFFAOYSA-N
MW411.82 g/mol
LogP4.56
Rot. Bonds5

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

7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 167008813) has the molecular formula C21H15ClFN3O3 and a molecular weight of 411.82 g/mol. Its IUPAC name is 7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID167008813
Molecular FormulaC21H15ClFN3O3
Molecular Weight411.82 g/mol
Exact Mass411.08
IUPAC Name7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2ccc(Oc3ccc(OCc4ccc(F)c(Cl)c4)nc3)cn2c1=O
InChIInChI=1S/C21H15ClFN3O3/c1-13-9-24-19-6-3-16(11-26(19)21(13)27)29-15-4-7-20(25-10-15)28-12-14-2-5-18(23)17(22)8-14/h2-11H,12H2,1H3
InChIKeyPFAHXDCCGMDYNG-UHFFFAOYSA-N
XLogP4.56
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 167008813) is 7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cnc2ccc(Oc3ccc(OCc4ccc(F)c(Cl)c4)nc3)cn2c1=O.
What is the InChIKey of 7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PFAHXDCCGMDYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O3/c1-13-9-24-19-6-3-16(11-26(19)21(13)27)29-15-4-7-20(25-10-15)28-12-14-2-5-18(23)17(22)8-14/h2-11H,12H2,1H3.
What are the key properties of 7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one?
7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 411.82 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(3-chloro-4-fluorophenyl)methoxy]-3-pyridinyl]oxy]-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 167008813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).