7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione

C23H24ClFN2O5 — CID 148779790

IUPAC7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione
SMILESCCOC1CC2(C1)CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3cccc(Cl)c3F)cn12
InChIInChI=1S/C23H24ClFN2O5/c1-3-32-14-9-23(10-14)12-26(2)22(31)19-21(30)20(29)15(11-27(19)23)17(28)8-7-13-5-4-6-16(24)18(13)25/h4-6,11,14,30H,3,7-10,12H2,1-2H3
InChIKeyOKBLSONAKKGVRQ-UHFFFAOYSA-N
MW462.91 g/mol
LogP3.14
Rot. Bonds6

About 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione

7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione (PubChem CID 148779790) has the molecular formula C23H24ClFN2O5 and a molecular weight of 462.91 g/mol. Its IUPAC name is 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione.

Molecular Properties

Compound Name7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione
PubChem CID148779790
Molecular FormulaC23H24ClFN2O5
Molecular Weight462.91 g/mol
Exact Mass462.14
IUPAC Name7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione
SMILESCCOC1CC2(C1)CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3cccc(Cl)c3F)cn12
InChIInChI=1S/C23H24ClFN2O5/c1-3-32-14-9-23(10-14)12-26(2)22(31)19-21(30)20(29)15(11-27(19)23)17(28)8-7-13-5-4-6-16(24)18(13)25/h4-6,11,14,30H,3,7-10,12H2,1-2H3
InChIKeyOKBLSONAKKGVRQ-UHFFFAOYSA-N
XLogP3.14
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.91
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[3-(2,4-difluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione
CID 157162114
7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-2-ethyl-3',9-dihydroxyspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-phenylmethoxyspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2-methyl-3'-phenylmethoxyspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione
CID 157162112
(1'S,4S)-7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-N,N-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,2'-cyclopropane]-1'-carboxamide
CID 161063512
(2'R,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-2'-(hydroxymethyl)-2-methyl-1,8-dioxospiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide
CID 90312442
(2'S,4S)-N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-2'-(hydroxymethyl)-2-methyl-1,8-dioxospiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide
CID 90312448
7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-9-hydroxy-3'-methoxy-2-methylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione
CID 161032990
N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-3'-methoxy-1,8-dioxo-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-2-ethyl-9-hydroxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(hydroxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-(methoxymethyl)spiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(3-chloro-2-fluorophenyl)propanoyl]-2-ethyl-9-hydroxy-3'-methoxyspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-3',9-dihydroxy-2-propan-2-ylspiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-1,8-dione;7-[3-(2,4-difluorophenyl)propanoyl]-9-hydroxy-2'-(methoxymethyl)-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione
CID 158221770
(2'R,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-2'-(hydroxymethyl)-2-methyl-1,8-dioxospiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide;hydrochloride
CID 90312441
9-butoxy-N-[(3-chloro-2-fluorophenyl)methyl]-3'-(hydroxymethyl)-2-methyl-1,8-dioxospiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-7-carboxamide
CID 90323037
(10S)-4-[3-(3-chloro-2-fluorophenyl)propanoyl]-6-hydroxy-9-methyl-1,2,9-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-3,6,11,13,15-pentaene-5,8-dione
CID 159303511
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-methyl-1,8-dioxo-3'-phenylmethoxyspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-7-carboxamide
CID 90312506
(2'S,4S)-2-ethyl-7-[3-[2-fluoro-3-(trifluoromethyl)phenyl]propanoyl]-9-hydroxy-2'-(methoxymethyl)spiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-1,8-dione
CID 158571289

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione?
The IUPAC name of 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione (CID 148779790) is 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione.
What is the SMILES notation for 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione?
The canonical SMILES for 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione is CCOC1CC2(C1)CN(C)C(=O)c1c(O)c(=O)c(C(=O)CCc3cccc(Cl)c3F)cn12.
What is the InChIKey of 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione?
The InChIKey is OKBLSONAKKGVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O5/c1-3-32-14-9-23(10-14)12-26(2)22(31)19-21(30)20(29)15(11-27(19)23)17(28)8-7-13-5-4-6-16(24)18(13)25/h4-6,11,14,30H,3,7-10,12H2,1-2H3.
What are the key properties of 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione?
7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione has a molecular weight of 462.91 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-chloro-2-fluorophenyl)propanoyl]-3'-ethoxy-9-hydroxy-2-methylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-1,8-dione is sourced from PubChem (CID 148779790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).