7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide

C26H30F2N4O5 — CID 134377084

IUPAC7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide
SMILESCC(C)N1CC2(CC(C(=O)N(C)C)C2)n2cc(C(=O)NCc3ccc(F)cc3CF)c(=O)c(O)c2C1=O
InChIInChI=1S/C26H30F2N4O5/c1-14(2)31-13-26(8-17(9-26)24(36)30(3)4)32-12-19(21(33)22(34)20(32)25(31)37)23(35)29-11-15-5-6-18(28)7-16(15)10-27/h5-7,12,14,17,34H,8-11,13H2,1-4H3,(H,29,35)
InChIKeySQSGMTAFNSZCRC-UHFFFAOYSA-N
MW516.55 g/mol
LogP2.15
Rot. Bonds6

About 7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide

7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide (PubChem CID 134377084) has the molecular formula C26H30F2N4O5 and a molecular weight of 516.55 g/mol. Its IUPAC name is 7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide.

Molecular Properties

Compound Name7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide
PubChem CID134377084
Molecular FormulaC26H30F2N4O5
Molecular Weight516.55 g/mol
Exact Mass516.22
IUPAC Name7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide
SMILESCC(C)N1CC2(CC(C(=O)N(C)C)C2)n2cc(C(=O)NCc3ccc(F)cc3CF)c(=O)c(O)c2C1=O
InChIInChI=1S/C26H30F2N4O5/c1-14(2)31-13-26(8-17(9-26)24(36)30(3)4)32-12-19(21(33)22(34)20(32)25(31)37)23(35)29-11-15-5-6-18(28)7-16(15)10-27/h5-7,12,14,17,34H,8-11,13H2,1-4H3,(H,29,35)
InChIKeySQSGMTAFNSZCRC-UHFFFAOYSA-N
XLogP2.15
TPSA111.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.55
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide with MolForge

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Related Compounds

(2'S,4S)-N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2'-(methoxymethyl)-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide
CID 90312426
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2'-(methoxymethyl)-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide;hydrochloride
CID 140649131
N-[(2,4-difluorophenyl)methyl]-3'-hydroxy-1,8-dioxo-9-phenylmethoxy-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclobutane]-7-carboxamide
CID 126581351
(2'R,4R)-N-[(3-chloro-2-fluorophenyl)methyl]-9-hydroxy-2'-(hydroxymethyl)-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide
CID 90312246
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
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2'-(hydroxymethyl)-2-methyl-1,8-dioxospiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide
CID 90322999
(2'S,4S)-N-[(2,4-difluorophenyl)methyl]-2-ethyl-9-hydroxy-2'-(hydroxymethyl)-1,8-dioxospiro[3H-pyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide;hydrochloride
CID 90312068
[7-[3-(2,4-difluorophenyl)propanoyl]-9-hydroxy-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1'-yl] methanesulfonate
CID 158507453
(2'R,4S)-N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2'-(methoxymethyl)-8-oxo-2-propan-2-ylspiro[1,3-dihydropyrido[1,2-a]pyrazine-4,1'-cyclopropane]-7-carboxamide
CID 134377160
(5S)-N-[(2,4-difluorophenyl)methyl]-10-hydroxy-3,5-dimethyl-8,11-dioxo-4-propan-2-yl-1,4,7-triazatricyclo[7.4.0.03,7]trideca-9,12-diene-12-carboxamide
CID 126542512
N-[(2,4-difluorophenyl)methyl]-9-hydroxy-2-methyl-1,8-dioxospiro[4H-pyrido[1,2-a]pyrazine-3,1'-cyclobutane]-7-carboxamide
CID 90245191
(1R,12R)-N-[(2,4-difluorophenyl)methyl]-7-hydroxy-6,9-dioxo-3,10-diazatetracyclo[10.2.1.01,10.03,8]pentadeca-4,7-diene-5-carboxamide
CID 90479973

Frequently Asked Questions

What is the IUPAC name of 7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide?
The IUPAC name of 7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide (CID 134377084) is 7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide.
What is the SMILES notation for 7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide?
The canonical SMILES for 7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide is CC(C)N1CC2(CC(C(=O)N(C)C)C2)n2cc(C(=O)NCc3ccc(F)cc3CF)c(=O)c(O)c2C1=O.
What is the InChIKey of 7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide?
The InChIKey is SQSGMTAFNSZCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4O5/c1-14(2)31-13-26(8-17(9-26)24(36)30(3)4)32-12-19(21(33)22(34)20(32)25(31)37)23(35)29-11-15-5-6-18(28)7-16(15)10-27/h5-7,12,14,17,34H,8-11,13H2,1-4H3,(H,29,35).
What are the key properties of 7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide?
7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide has a molecular weight of 516.55 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[[4-fluoro-2-(fluoromethyl)phenyl]methyl]-9-hydroxy-1-N',1-N'-dimethyl-1,8-dioxo-2-propan-2-ylspiro[3H-pyrido[1,2-a]pyrazine-4,3'-cyclobutane]-1',7-dicarboxamide is sourced from PubChem (CID 134377084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).