2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one

C27H24FN3O3 — CID 74953970

IUPAC2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccc(C=Cc2nc3ccccn3c(=O)c2-c2ccc(F)nc2)c1OC1CCCC1
InChIInChI=1S/C27H24FN3O3/c1-33-22-10-6-7-18(26(22)34-20-8-2-3-9-20)12-14-21-25(19-13-15-23(28)29-17-19)27(32)31-16-5-4-11-24(31)30-21/h4-7,10-17,20H,2-3,8-9H2,1H3
InChIKeyLVPFJQXNTYWMJG-UHFFFAOYSA-N
MW457.51 g/mol
LogP5.40
Rot. Bonds6

About 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one

2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 74953970) has the molecular formula C27H24FN3O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID74953970
Molecular FormulaC27H24FN3O3
Molecular Weight457.51 g/mol
Exact Mass457.18
IUPAC Name2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cccc(C=Cc2nc3ccccn3c(=O)c2-c2ccc(F)nc2)c1OC1CCCC1
InChIInChI=1S/C27H24FN3O3/c1-33-22-10-6-7-18(26(22)34-20-8-2-3-9-20)12-14-21-25(19-13-15-23(28)29-17-19)27(32)31-16-5-4-11-24(31)30-21/h4-7,10-17,20H,2-3,8-9H2,1H3
InChIKeyLVPFJQXNTYWMJG-UHFFFAOYSA-N
XLogP5.40
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 74953794
2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-quinolin-7-ylpyrido[1,2-a]pyrimidin-4-one
CID 67547660
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 67548020
3-bromo-2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 67547244
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-9-methyl-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 74953973
2-[2-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]ethenyl]-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-4-one
CID 67547698
4-[2-[2-(3-methoxy-2-pentoxyphenyl)ethenyl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]benzonitrile
CID 67548374
7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753133
7-[2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-6-(4-hydroxyphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66753387
3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide
CID 91053667
6-[2-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]benzimidazol-1-yl]pyridine-3-carboxylic acid
CID 141329500
6-methoxy-8,12,18-triazatetracyclo[8.8.0.02,7.012,17]octadeca-1,3,5,7,9,13,15,17-octaen-11-one
CID 3307924

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one (CID 74953970) is 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one is COc1cccc(C=Cc2nc3ccccn3c(=O)c2-c2ccc(F)nc2)c1OC1CCCC1.
What is the InChIKey of 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LVPFJQXNTYWMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3/c1-33-22-10-6-7-18(26(22)34-20-8-2-3-9-20)12-14-21-25(19-13-15-23(28)29-17-19)27(32)31-16-5-4-11-24(31)30-21/h4-7,10-17,20H,2-3,8-9H2,1H3.
What are the key properties of 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one?
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 457.51 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-(6-fluoro-3-pyridinyl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 74953970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).