2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine

C21H25FN4O2 — CID 118227272

IUPAC2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCOc1ccc(C2=CCN3C=C(N4CCN(C)CC4)C=C(F)C3=N2)cc1OC
InChIInChI=1S/C21H25FN4O2/c1-24-8-10-25(11-9-24)16-13-17(22)21-23-18(6-7-26(21)14-16)15-4-5-19(27-2)20(12-15)28-3/h4-6,12-14H,7-11H2,1-3H3
InChIKeyWUOIGZPAUMARME-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.71
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine

2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine (PubChem CID 118227272) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine
PubChem CID118227272
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine
SMILESCOc1ccc(C2=CCN3C=C(N4CCN(C)CC4)C=C(F)C3=N2)cc1OC
InChIInChI=1S/C21H25FN4O2/c1-24-8-10-25(11-9-24)16-13-17(22)21-23-18(6-7-26(21)14-16)15-4-5-19(27-2)20(12-15)28-3/h4-6,12-14H,7-11H2,1-3H3
InChIKeyWUOIGZPAUMARME-UHFFFAOYSA-N
XLogP2.71
TPSA40.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine (CID 118227272) is 2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine is COc1ccc(C2=CCN3C=C(N4CCN(C)CC4)C=C(F)C3=N2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is WUOIGZPAUMARME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-24-8-10-25(11-9-24)16-13-17(22)21-23-18(6-7-26(21)14-16)15-4-5-19(27-2)20(12-15)28-3/h4-6,12-14H,7-11H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine?
2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 384.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-9-fluoro-7-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 118227272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).