N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

C25H27F2N5O5 — CID 169236937

IUPACN-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
SMILESCOc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C1CN(C2=O)C(C)CCC12N=C(C)N(C)O2
InChIInChI=1S/C25H27F2N5O5/c1-13-7-8-25(29-14(2)30(3)37-25)19-12-31(13)24(35)20-22(36-4)21(33)17(11-32(19)20)23(34)28-10-15-5-6-16(26)9-18(15)27/h5-6,9,11,13,19H,7-8,10,12H2,1-4H3,(H,28,34)
InChIKeyORZGOWXEKLKNPP-UHFFFAOYSA-N
MW515.52 g/mol
LogP2.24
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (PubChem CID 169236937) has the molecular formula C25H27F2N5O5 and a molecular weight of 515.52 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
PubChem CID169236937
Molecular FormulaC25H27F2N5O5
Molecular Weight515.52 g/mol
Exact Mass515.20
IUPAC NameN-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
SMILESCOc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C1CN(C2=O)C(C)CCC12N=C(C)N(C)O2
InChIInChI=1S/C25H27F2N5O5/c1-13-7-8-25(29-14(2)30(3)37-25)19-12-31(13)24(35)20-22(36-4)21(33)17(11-32(19)20)23(34)28-10-15-5-6-16(26)9-18(15)27/h5-6,9,11,13,19H,7-8,10,12H2,1-4H3,(H,28,34)
InChIKeyORZGOWXEKLKNPP-UHFFFAOYSA-N
XLogP2.24
TPSA105.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.52
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide with MolForge

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Related Compounds

(1R,10S,13S)-N-[(2,4-difluorophenyl)methyl]-6-(hydroxymethoxy)-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 176979964
(5R,10'S)-N-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide;ethane;molecular hydrogen;propane
CID 169236872
(1'R,5R,10'S)-6'-butoxy-N-[(2,4-difluorophenyl)methyl]-3,10'-dimethyl-4,5',8'-trioxospiro[1,2-oxazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169314555
(1R,10S,13S)-N-[(2,4-difluorophenyl)methyl]-3'-methoxy-10-methyl-5,8-dioxo-6-phenylmethoxyspiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314725
N-[(2,4-difluorophenyl)methyl]-3',4',10-trimethyl-5,8-dioxo-6-phenylmethoxyspiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169236735
[(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl 2-methoxyacetate
CID 177115584
methyl 2-[(1R,10S,13R)-4-[(2,4-difluorophenyl)methylcarbamoyl]-10-methyl-5,8-dioxo-6-phenylmethoxy-13-sulfanyl-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-dien-13-yl]acetate
CID 169314397
6'-methoxy-10'-methyl-5',8'-dioxo-N-[(2,4,6-trifluorophenyl)methyl]spiro[1,3-dioxolane-2,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
CID 169236848
[(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3'-methoxy-10-methyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl 2-methoxyethyl carbonate;molecular hydrogen
CID 176979756
(1R,10S,13S)-3'-cyclopropyl-N-[(2,4-difluorophenyl)methyl]-10-methyl-5,8-dioxo-6-phenylmethoxyspiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-4-carboxamide
CID 169314898
[(1R,10S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3'-methoxy-10-methyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl 2-(2-methoxyethoxy)ethyl carbonate
CID 176979697
[(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3',10-dimethyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl ethyl carbonate;[(1R,10S,13S)-4-[(2,4-difluorophenyl)methylcarbamoyl]-3'-methoxy-10-methyl-5,8-dioxospiro[2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-13,5'-4H-1,2-oxazole]-6-yl]oxymethyl ethyl carbonate;molecular hydrogen
CID 176979771

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (CID 169236937) is N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is COc1c2n(cc(C(=O)NCc3ccc(F)cc3F)c1=O)C1CN(C2=O)C(C)CCC12N=C(C)N(C)O2.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The InChIKey is ORZGOWXEKLKNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O5/c1-13-7-8-25(29-14(2)30(3)37-25)19-12-31(13)24(35)20-22(36-4)21(33)17(11-32(19)20)23(34)28-10-15-5-6-16(26)9-18(15)27/h5-6,9,11,13,19H,7-8,10,12H2,1-4H3,(H,28,34).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide has a molecular weight of 515.52 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-6'-methoxy-2,3,10'-trimethyl-5',8'-dioxospiro[1,2,4-oxadiazole-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is sourced from PubChem (CID 169236937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).