2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride

C19H15Cl2FN4O3 — CID 54705294

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
SMILESCl.O=C1c2c(O)c(=O)c(-c3ccncn3)cn2CCN1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H14ClFN4O3.ClH/c20-13-7-11(1-2-14(13)21)8-25-6-5-24-9-12(15-3-4-22-10-23-15)17(26)18(27)16(24)19(25)28;/h1-4,7,9-10,27H,5-6,8H2;1H
InChIKeyMNEOFWAZLUZGMR-UHFFFAOYSA-N
MW437.26 g/mol
LogP2.88
Rot. Bonds3

About 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride

2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride (PubChem CID 54705294) has the molecular formula C19H15Cl2FN4O3 and a molecular weight of 437.26 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
PubChem CID54705294
Molecular FormulaC19H15Cl2FN4O3
Molecular Weight437.26 g/mol
Exact Mass436.05
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride
SMILESCl.O=C1c2c(O)c(=O)c(-c3ccncn3)cn2CCN1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C19H14ClFN4O3.ClH/c20-13-7-11(1-2-14(13)21)8-25-6-5-24-9-12(15-3-4-22-10-23-15)17(26)18(27)16(24)19(25)28;/h1-4,7,9-10,27H,5-6,8H2;1H
InChIKeyMNEOFWAZLUZGMR-UHFFFAOYSA-N
XLogP2.88
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride (CID 54705294) is 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride is Cl.O=C1c2c(O)c(=O)c(-c3ccncn3)cn2CCN1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
The InChIKey is MNEOFWAZLUZGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN4O3.ClH/c20-13-7-11(1-2-14(13)21)8-25-6-5-24-9-12(15-3-4-22-10-23-15)17(26)18(27)16(24)19(25)28;/h1-4,7,9-10,27H,5-6,8H2;1H.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride?
2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride has a molecular weight of 437.26 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-9-hydroxy-7-pyrimidin-4-yl-3,4-dihydropyrido[1,2-a]pyrazine-1,8-dione;hydrochloride is sourced from PubChem (CID 54705294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).