5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide

C84H102Cl2F5N17O11 — CID 167679827

IUPAC5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)c(F)c2)C2(CN(c3cccnn3)C2)C1=O.CC1CCC(N2CC(=O)N(Cc3ccc(F)c(Cl)c3)C3(CN(C(N)=O)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(F)c(F)c3)C3(CN(C(N)=O)C3)C2=O)CC1.Cc1cc(CN2C(=O)CN(C3CCC(C)CC3)C(=O)C23CN(C(N)=O)C3)ccc1F
InChIInChI=1S/C22H29FN4O3.C21H26ClFN4O3.C21H26F2N4O3.C20H21ClFN5O2/c1-14-3-6-17(7-4-14)26-11-19(28)27(10-16-5-8-18(23)15(2)9-16)22(20(26)29)12-25(13-22)21(24)30;1-13-2-5-15(6-3-13)26-10-18(28)27(9-14-4-7-17(23)16(22)8-14)21(19(26)29)11-25(12-21)20(24)30;1-13-2-5-15(6-3-13)26-10-18(28)27(9-14-4-7-16(22)17(23)8-14)21(19(26)29)11-25(12-21)20(24)30;1-13(2)26-10-18(28)27(9-14-5-6-15(21)16(22)8-14)20(19(26)29)11-25(12-20)17-4-3-7-23-24-17/h5,8-9,14,17H,3-4,6-7,10-13H2,1-2H3,(H2,24,30);2*4,7-8,13,15H,2-3,5-6,9-12H2,1H3,(H2,24,30);3-8,13H,9-12H2,1-2H3
InChIKeyVJACIPCTQYUPBM-UHFFFAOYSA-N
MW1691.74 g/mol
LogP8.33
Rot. Bonds13

About 5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide

5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide (PubChem CID 167679827) has the molecular formula C84H102Cl2F5N17O11 and a molecular weight of 1691.74 g/mol. Its IUPAC name is 5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
PubChem CID167679827
Molecular FormulaC84H102Cl2F5N17O11
Molecular Weight1691.74 g/mol
Exact Mass1689.72
IUPAC Name5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide
SMILESCC(C)N1CC(=O)N(Cc2ccc(Cl)c(F)c2)C2(CN(c3cccnn3)C2)C1=O.CC1CCC(N2CC(=O)N(Cc3ccc(F)c(Cl)c3)C3(CN(C(N)=O)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(F)c(F)c3)C3(CN(C(N)=O)C3)C2=O)CC1.Cc1cc(CN2C(=O)CN(C3CCC(C)CC3)C(=O)C23CN(C(N)=O)C3)ccc1F
InChIInChI=1S/C22H29FN4O3.C21H26ClFN4O3.C21H26F2N4O3.C20H21ClFN5O2/c1-14-3-6-17(7-4-14)26-11-19(28)27(10-16-5-8-18(23)15(2)9-16)22(20(26)29)12-25(13-22)21(24)30;1-13-2-5-15(6-3-13)26-10-18(28)27(9-14-4-7-17(23)16(22)8-14)21(19(26)29)11-25(12-21)20(24)30;1-13-2-5-15(6-3-13)26-10-18(28)27(9-14-4-7-16(22)17(23)8-14)21(19(26)29)11-25(12-21)20(24)30;1-13(2)26-10-18(28)27(9-14-5-6-15(21)16(22)8-14)20(19(26)29)11-25(12-20)17-4-3-7-23-24-17/h5,8-9,14,17H,3-4,6-7,10-13H2,1-2H3,(H2,24,30);2*4,7-8,13,15H,2-3,5-6,9-12H2,1H3,(H2,24,30);3-8,13H,9-12H2,1-2H3
InChIKeyVJACIPCTQYUPBM-UHFFFAOYSA-N
XLogP8.33
TPSA330.49 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001691.74
LogP ≤ 58.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
The IUPAC name of 5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide (CID 167679827) is 5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide.
What is the SMILES notation for 5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
The canonical SMILES for 5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide is CC(C)N1CC(=O)N(Cc2ccc(Cl)c(F)c2)C2(CN(c3cccnn3)C2)C1=O.CC1CCC(N2CC(=O)N(Cc3ccc(F)c(Cl)c3)C3(CN(C(N)=O)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(F)c(F)c3)C3(CN(C(N)=O)C3)C2=O)CC1.Cc1cc(CN2C(=O)CN(C3CCC(C)CC3)C(=O)C23CN(C(N)=O)C3)ccc1F.
What is the InChIKey of 5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
The InChIKey is VJACIPCTQYUPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O3.C21H26ClFN4O3.C21H26F2N4O3.C20H21ClFN5O2/c1-14-3-6-17(7-4-14)26-11-19(28)27(10-16-5-8-18(23)15(2)9-16)22(20(26)29)12-25(13-22)21(24)30;1-13-2-5-15(6-3-13)26-10-18(28)27(9-14-4-7-17(23)16(22)8-14)21(19(26)29)11-25(12-21)20(24)30;1-13-2-5-15(6-3-13)26-10-18(28)27(9-14-4-7-16(22)17(23)8-14)21(19(26)29)11-25(12-21)20(24)30;1-13(2)26-10-18(28)27(9-14-5-6-15(21)16(22)8-14)20(19(26)29)11-25(12-20)17-4-3-7-23-24-17/h5,8-9,14,17H,3-4,6-7,10-13H2,1-2H3,(H2,24,30);2*4,7-8,13,15H,2-3,5-6,9-12H2,1H3,(H2,24,30);3-8,13H,9-12H2,1-2H3.
What are the key properties of 5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide?
5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide has a molecular weight of 1691.74 g/mol, XLogP of 8.33, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-chloro-3-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(4-fluoro-3-methylphenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide is sourced from PubChem (CID 167679827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).