8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione

C86H96F8N20O8 — CID 167674509

IUPAC8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(CN(c3cccnn3)C2)C1=O.CCC(CC)N1CC(=O)N(Cc2ccc(F)c(F)c2)C2(CN(c3cccnn3)C2)C1=O.CC[C@H](C)N1CC(=O)N(Cc2ccc(F)c(C)c2)C2(CN(c3cccnn3)C2)C1=O.CC[C@H](C)N1CC(=O)N(Cc2ccc(F)c(F)c2)C2(CN(c3cccnn3)C2)C1=O
InChIInChI=1S/C22H25F2N5O2.C22H26FN5O2.C21H22F3N5O2.C21H23F2N5O2/c1-3-16(4-2)28-12-20(30)29(11-15-7-8-17(23)18(24)10-15)22(21(28)31)13-27(14-22)19-6-5-9-25-26-19;1-4-16(3)27-12-20(29)28(11-17-7-8-18(23)15(2)10-17)22(21(27)30)13-26(14-22)19-6-5-9-24-25-19;1-14(2)28-11-18(30)29(10-15-5-7-16(8-6-15)21(22,23)24)20(19(28)31)12-27(13-20)17-4-3-9-25-26-17;1-3-14(2)27-11-19(29)28(10-15-6-7-16(22)17(23)9-15)21(20(27)30)12-26(13-21)18-5-4-8-24-25-18/h5-10,16H,3-4,11-14H2,1-2H3;5-10,16H,4,11-14H2,1-3H3;3-9,14H,10-13H2,1-2H3;4-9,14H,3,10-13H2,1-2H3/t;16-;;14-/m.0.0/s1
InChIKeyUPRBVJVTJXMEFL-VXDDQSSLSA-N
MW1689.83 g/mol
LogP8.84
Rot. Bonds20

About 8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione

8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione (PubChem CID 167674509) has the molecular formula C86H96F8N20O8 and a molecular weight of 1689.83 g/mol. Its IUPAC name is 8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione
PubChem CID167674509
Molecular FormulaC86H96F8N20O8
Molecular Weight1689.83 g/mol
Exact Mass1688.76
IUPAC Name8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(CN(c3cccnn3)C2)C1=O.CCC(CC)N1CC(=O)N(Cc2ccc(F)c(F)c2)C2(CN(c3cccnn3)C2)C1=O.CC[C@H](C)N1CC(=O)N(Cc2ccc(F)c(C)c2)C2(CN(c3cccnn3)C2)C1=O.CC[C@H](C)N1CC(=O)N(Cc2ccc(F)c(F)c2)C2(CN(c3cccnn3)C2)C1=O
InChIInChI=1S/C22H25F2N5O2.C22H26FN5O2.C21H22F3N5O2.C21H23F2N5O2/c1-3-16(4-2)28-12-20(30)29(11-15-7-8-17(23)18(24)10-15)22(21(28)31)13-27(14-22)19-6-5-9-25-26-19;1-4-16(3)27-12-20(29)28(11-17-7-8-18(23)15(2)10-17)22(21(27)30)13-26(14-22)19-6-5-9-24-25-19;1-14(2)28-11-18(30)29(10-15-5-7-16(8-6-15)21(22,23)24)20(19(28)31)12-27(13-20)17-4-3-9-25-26-17;1-3-14(2)27-11-19(29)28(10-15-6-7-16(22)17(23)9-15)21(20(27)30)12-26(13-21)18-5-4-8-24-25-18/h5-10,16H,3-4,11-14H2,1-2H3;5-10,16H,4,11-14H2,1-3H3;3-9,14H,10-13H2,1-2H3;4-9,14H,3,10-13H2,1-2H3/t;16-;;14-/m.0.0/s1
InChIKeyUPRBVJVTJXMEFL-VXDDQSSLSA-N
XLogP8.84
TPSA278.56 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001689.83
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione (CID 167674509) is 8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione is CC(C)N1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2(CN(c3cccnn3)C2)C1=O.CCC(CC)N1CC(=O)N(Cc2ccc(F)c(F)c2)C2(CN(c3cccnn3)C2)C1=O.CC[C@H](C)N1CC(=O)N(Cc2ccc(F)c(C)c2)C2(CN(c3cccnn3)C2)C1=O.CC[C@H](C)N1CC(=O)N(Cc2ccc(F)c(F)c2)C2(CN(c3cccnn3)C2)C1=O.
What is the InChIKey of 8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The InChIKey is UPRBVJVTJXMEFL-VXDDQSSLSA-N. The full InChI is InChI=1S/C22H25F2N5O2.C22H26FN5O2.C21H22F3N5O2.C21H23F2N5O2/c1-3-16(4-2)28-12-20(30)29(11-15-7-8-17(23)18(24)10-15)22(21(28)31)13-27(14-22)19-6-5-9-25-26-19;1-4-16(3)27-12-20(29)28(11-17-7-8-18(23)15(2)10-17)22(21(27)30)13-26(14-22)19-6-5-9-24-25-19;1-14(2)28-11-18(30)29(10-15-5-7-16(8-6-15)21(22,23)24)20(19(28)31)12-27(13-20)17-4-3-9-25-26-17;1-3-14(2)27-11-19(29)28(10-15-6-7-16(22)17(23)9-15)21(20(27)30)12-26(13-21)18-5-4-8-24-25-18/h5-10,16H,3-4,11-14H2,1-2H3;5-10,16H,4,11-14H2,1-3H3;3-9,14H,10-13H2,1-2H3;4-9,14H,3,10-13H2,1-2H3/t;16-;;14-/m.0.0/s1.
What are the key properties of 8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione has a molecular weight of 1689.83 g/mol, XLogP of 8.84, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-butan-2-yl]-5-[(3,4-difluorophenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-[(2S)-butan-2-yl]-5-[(4-fluoro-3-methylphenyl)methyl]-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-pentan-3-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;8-propan-2-yl-2-pyridazin-3-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-2,5,8-triazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 167674509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).