2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine

C21H22FN3O — CID 141381204

IUPAC2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCOc1ccc(C2=CCN3C=C(C4=CCN(C)CC4)C=CC3=N2)cc1F
InChIInChI=1S/C21H22FN3O/c1-24-10-7-15(8-11-24)17-4-6-21-23-19(9-12-25(21)14-17)16-3-5-20(26-2)18(22)13-16/h3-7,9,13-14H,8,10-12H2,1-2H3
InChIKeyPAZABTDMTQLYIL-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.60
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine

2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine (PubChem CID 141381204) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine
PubChem CID141381204
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCOc1ccc(C2=CCN3C=C(C4=CCN(C)CC4)C=CC3=N2)cc1F
InChIInChI=1S/C21H22FN3O/c1-24-10-7-15(8-11-24)17-4-6-21-23-19(9-12-25(21)14-17)16-3-5-20(26-2)18(22)13-16/h3-7,9,13-14H,8,10-12H2,1-2H3
InChIKeyPAZABTDMTQLYIL-UHFFFAOYSA-N
XLogP3.60
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(3,4-dimethoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylcyclohex-3-en-1-amine
CID 141381138
1-chloro-4-(3-fluoro-4-methoxyphenyl)-3,6-dihydro-2H-pyridine
CID 118221082
2-[4-[4-cyclobutylidene-2-(3,4-dimethoxyphenyl)pyrido[1,2-a]pyrimidin-7-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanol
CID 142511051
2-(2-methylimidazo[1,2-a]pyridin-6-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine
CID 172712307
2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine
CID 118227272
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104
6-(3,4-dimethoxyphenyl)-3H-[1,2,4]triazolo[4,3-a]pyridin-2-amine
CID 118495829
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
1-(3-fluoro-4-methoxyphenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82122953
N-(5-chloro-2-methoxyphenyl)-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 4987994
5-(3-fluoro-4-methoxyphenyl)-2-methyl-4H-pyrazol-3-one
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5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827395

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine (CID 141381204) is 2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine is COc1ccc(C2=CCN3C=C(C4=CCN(C)CC4)C=CC3=N2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is PAZABTDMTQLYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-24-10-7-15(8-11-24)17-4-6-21-23-19(9-12-25(21)14-17)16-3-5-20(26-2)18(22)13-16/h3-7,9,13-14H,8,10-12H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine?
2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 351.43 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 141381204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).