2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C33H35FN4O4 — CID 129165343

IUPAC2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(C(CF)c1ccccc1)C2.O=c1cc2n(cc1O)CCN(C1(c3ccccc3)CC1)C2
InChIInChI=1S/C17H18N2O2.C16H17FN2O2/c20-15-10-14-11-19(9-8-18(14)12-16(15)21)17(6-7-17)13-4-2-1-3-5-13;17-9-14(12-4-2-1-3-5-12)19-7-6-18-11-16(21)15(20)8-13(18)10-19/h1-5,10,12,21H,6-9,11H2;1-5,8,11,14,21H,6-7,9-10H2
InChIKeyNAOZCKWETZHMTF-UHFFFAOYSA-N
MW570.67 g/mol
LogP4.14
Rot. Bonds5

About 2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 129165343) has the molecular formula C33H35FN4O4 and a molecular weight of 570.67 g/mol. Its IUPAC name is 2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID129165343
Molecular FormulaC33H35FN4O4
Molecular Weight570.67 g/mol
Exact Mass570.26
IUPAC Name2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(C(CF)c1ccccc1)C2.O=c1cc2n(cc1O)CCN(C1(c3ccccc3)CC1)C2
InChIInChI=1S/C17H18N2O2.C16H17FN2O2/c20-15-10-14-11-19(9-8-18(14)12-16(15)21)17(6-7-17)13-4-2-1-3-5-13;17-9-14(12-4-2-1-3-5-12)19-7-6-18-11-16(21)15(20)8-13(18)10-19/h1-5,10,12,21H,6-9,11H2;1-5,8,11,14,21H,6-7,9-10H2
InChIKeyNAOZCKWETZHMTF-UHFFFAOYSA-N
XLogP4.14
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.67
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 129165343) is 2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is O=c1cc2n(cc1O)CCN(C(CF)c1ccccc1)C2.O=c1cc2n(cc1O)CCN(C1(c3ccccc3)CC1)C2.
What is the InChIKey of 2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is NAOZCKWETZHMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2.C16H17FN2O2/c20-15-10-14-11-19(9-8-18(14)12-16(15)21)17(6-7-17)13-4-2-1-3-5-13;17-9-14(12-4-2-1-3-5-12)19-7-6-18-11-16(21)15(20)8-13(18)10-19/h1-5,10,12,21H,6-9,11H2;1-5,8,11,14,21H,6-7,9-10H2.
What are the key properties of 2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 570.67 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-1-phenylethyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one;7-hydroxy-2-(1-phenylcyclopropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 129165343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).