7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

C21H20FN3O2 — CID 135158805

IUPAC7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCc1ccc(-c2ccc3nc(C4=CCNCC4)cc(=O)n3c2)cc1F
InChIInChI=1S/C21H20FN3O2/c1-27-13-17-3-2-15(10-18(17)22)16-4-5-20-24-19(11-21(26)25(20)12-16)14-6-8-23-9-7-14/h2-6,10-12,23H,7-9,13H2,1H3
InChIKeyLUIXSDUEEHSSLH-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.02
Rot. Bonds4

About 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one

7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135158805) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID135158805
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOCc1ccc(-c2ccc3nc(C4=CCNCC4)cc(=O)n3c2)cc1F
InChIInChI=1S/C21H20FN3O2/c1-27-13-17-3-2-15(10-18(17)22)16-4-5-20-24-19(11-21(26)25(20)12-16)14-6-8-23-9-7-14/h2-6,10-12,23H,7-9,13H2,1H3
InChIKeyLUIXSDUEEHSSLH-UHFFFAOYSA-N
XLogP3.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one (CID 135158805) is 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is COCc1ccc(-c2ccc3nc(C4=CCNCC4)cc(=O)n3c2)cc1F.
What is the InChIKey of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LUIXSDUEEHSSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-27-13-17-3-2-15(10-18(17)22)16-4-5-20-24-19(11-21(26)25(20)12-16)14-6-8-23-9-7-14/h2-6,10-12,23H,7-9,13H2,1H3.
What are the key properties of 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one?
7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 365.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-fluoro-4-(methoxymethyl)phenyl]-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135158805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).