(1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

C32H35F2N5O6 — CID 170305155

IUPAC(1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
SMILESCOc1ccc(CN2[C@@H](C)N(Cc3ccc(F)cc3F)O[C@@]23CC[C@H](C)N2C[C@H]3n3cc(C(N)=O)c(=O)c(OC)c3C2=O)cc1
InChIInChI=1S/C32H35F2N5O6/c1-18-11-12-32(26-17-36(18)31(42)27-29(44-4)28(40)24(30(35)41)16-37(26)27)38(14-20-5-9-23(43-3)10-6-20)19(2)39(45-32)15-21-7-8-22(33)13-25(21)34/h5-10,13,16,18-19,26H,11-12,14-15,17H2,1-4H3,(H2,35,41)/t18-,19+,26+,32+/m0/s1
InChIKeyYXDPYCYTXKKZJG-RXVNPVMDSA-N
MW623.66 g/mol
LogP3.41
Rot. Bonds7

About (1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide

(1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (PubChem CID 170305155) has the molecular formula C32H35F2N5O6 and a molecular weight of 623.66 g/mol. Its IUPAC name is (1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.

Molecular Properties

Compound Name(1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
PubChem CID170305155
Molecular FormulaC32H35F2N5O6
Molecular Weight623.66 g/mol
Exact Mass623.26
IUPAC Name(1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide
SMILESCOc1ccc(CN2[C@@H](C)N(Cc3ccc(F)cc3F)O[C@@]23CC[C@H](C)N2C[C@H]3n3cc(C(N)=O)c(=O)c(OC)c3C2=O)cc1
InChIInChI=1S/C32H35F2N5O6/c1-18-11-12-32(26-17-36(18)31(42)27-29(44-4)28(40)24(30(35)41)16-37(26)27)38(14-20-5-9-23(43-3)10-6-20)19(2)39(45-32)15-21-7-8-22(33)13-25(21)34/h5-10,13,16,18-19,26H,11-12,14-15,17H2,1-4H3,(H2,35,41)/t18-,19+,26+,32+/m0/s1
InChIKeyYXDPYCYTXKKZJG-RXVNPVMDSA-N
XLogP3.41
TPSA119.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.66
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The IUPAC name of (1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide (CID 170305155) is (1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide.
What is the SMILES notation for (1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The canonical SMILES for (1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is COc1ccc(CN2[C@@H](C)N(Cc3ccc(F)cc3F)O[C@@]23CC[C@H](C)N2C[C@H]3n3cc(C(N)=O)c(=O)c(OC)c3C2=O)cc1.
What is the InChIKey of (1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
The InChIKey is YXDPYCYTXKKZJG-RXVNPVMDSA-N. The full InChI is InChI=1S/C32H35F2N5O6/c1-18-11-12-32(26-17-36(18)31(42)27-29(44-4)28(40)24(30(35)41)16-37(26)27)38(14-20-5-9-23(43-3)10-6-20)19(2)39(45-32)15-21-7-8-22(33)13-25(21)34/h5-10,13,16,18-19,26H,11-12,14-15,17H2,1-4H3,(H2,35,41)/t18-,19+,26+,32+/m0/s1.
What are the key properties of (1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide?
(1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide has a molecular weight of 623.66 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3R,5R,10'S)-2-[(2,4-difluorophenyl)methyl]-6'-methoxy-4-[(4-methoxyphenyl)methyl]-3,10'-dimethyl-5',8'-dioxospiro[1,2,4-oxadiazolidine-5,13'-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene]-4'-carboxamide is sourced from PubChem (CID 170305155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).