2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

C22H19ClFN3O3 — CID 54707932

IUPAC2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)c(-c3ccccn3)cn2CCN1CCCc1cccc(Cl)c1F
InChIInChI=1S/C22H19ClFN3O3/c23-16-7-3-5-14(18(16)24)6-4-10-26-11-12-27-13-15(17-8-1-2-9-25-17)20(28)21(29)19(27)22(26)30/h1-3,5,7-9,13,29H,4,6,10-12H2
InChIKeyVQAGOGVZFZSJIQ-UHFFFAOYSA-N
MW427.86 g/mol
LogP3.50
Rot. Bonds5

About 2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione

2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (PubChem CID 54707932) has the molecular formula C22H19ClFN3O3 and a molecular weight of 427.86 g/mol. Its IUPAC name is 2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.

Molecular Properties

Compound Name2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
PubChem CID54707932
Molecular FormulaC22H19ClFN3O3
Molecular Weight427.86 g/mol
Exact Mass427.11
IUPAC Name2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione
SMILESO=C1c2c(O)c(=O)c(-c3ccccn3)cn2CCN1CCCc1cccc(Cl)c1F
InChIInChI=1S/C22H19ClFN3O3/c23-16-7-3-5-14(18(16)24)6-4-10-26-11-12-27-13-15(17-8-1-2-9-25-17)20(28)21(29)19(27)22(26)30/h1-3,5,7-9,13,29H,4,6,10-12H2
InChIKeyVQAGOGVZFZSJIQ-UHFFFAOYSA-N
XLogP3.50
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.86
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The IUPAC name of 2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione (CID 54707932) is 2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione.
What is the SMILES notation for 2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The canonical SMILES for 2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is O=C1c2c(O)c(=O)c(-c3ccccn3)cn2CCN1CCCc1cccc(Cl)c1F.
What is the InChIKey of 2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
The InChIKey is VQAGOGVZFZSJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN3O3/c23-16-7-3-5-14(18(16)24)6-4-10-26-11-12-27-13-15(17-8-1-2-9-25-17)20(28)21(29)19(27)22(26)30/h1-3,5,7-9,13,29H,4,6,10-12H2.
What are the key properties of 2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione?
2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione has a molecular weight of 427.86 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chloro-2-fluorophenyl)propyl]-9-hydroxy-7-pyridin-2-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione is sourced from PubChem (CID 54707932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).