(4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid

C16H16ClFN2O5 — CID 42647058

IUPAC(4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid
SMILESCC1=CC=CC2=NCC(C(=O)c3ccc(F)cc3)CN12.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C16H15FN2O.ClHO4/c1-11-3-2-4-15-18-9-13(10-19(11)15)16(20)12-5-7-14(17)8-6-12;2-1(3,4)5/h2-8,13H,9-10H2,1H3;(H,2,3,4,5)
InChIKeyJJHVNBRQOMMJAQ-UHFFFAOYSA-N
MW370.76 g/mol
LogP-1.31
Rot. Bonds2

About (4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid

(4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid (PubChem CID 42647058) has the molecular formula C16H16ClFN2O5 and a molecular weight of 370.76 g/mol. Its IUPAC name is (4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid.

Molecular Properties

Compound Name(4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid
PubChem CID42647058
Molecular FormulaC16H16ClFN2O5
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC Name(4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid
SMILESCC1=CC=CC2=NCC(C(=O)c3ccc(F)cc3)CN12.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C16H15FN2O.ClHO4/c1-11-3-2-4-15-18-9-13(10-19(11)15)16(20)12-5-7-14(17)8-6-12;2-1(3,4)5/h2-8,13H,9-10H2,1H3;(H,2,3,4,5)
InChIKeyJJHVNBRQOMMJAQ-UHFFFAOYSA-N
XLogP-1.31
TPSA122.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 5-1.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid?
The IUPAC name of (4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid (CID 42647058) is (4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid.
What is the SMILES notation for (4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid?
The canonical SMILES for (4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid is CC1=CC=CC2=NCC(C(=O)c3ccc(F)cc3)CN12.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of (4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid?
The InChIKey is JJHVNBRQOMMJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O.ClHO4/c1-11-3-2-4-15-18-9-13(10-19(11)15)16(20)12-5-7-14(17)8-6-12;2-1(3,4)5/h2-8,13H,9-10H2,1H3;(H,2,3,4,5).
What are the key properties of (4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid?
(4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid has a molecular weight of 370.76 g/mol, XLogP of -1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(6-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-3-yl)methanone;perchloric acid is sourced from PubChem (CID 42647058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).