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

C90H104Cl2F5N19O9 — CID 167617105

IUPAC5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(F)c(Cl)c2)C2(CN(c3cccnn3)C2)C1=O.CC1CCC(N2CC(=O)N(Cc3ccc(Cl)cc3)C3(CN(c4cccnn4)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(F)c(F)c3)C3(CN(c4cccnn4)C3)C2=O)CC1.CCC1CCC(N2CC(=O)N(Cc3ccc(F)c(F)c3)C3(CN(C(N)=O)C3)C2=O)CC1
InChIInChI=1S/C24H28ClN5O2.C24H27F2N5O2.C22H28F2N4O3.C20H21ClFN5O2/c1-17-4-10-20(11-5-17)29-14-22(31)30(13-18-6-8-19(25)9-7-18)24(23(29)32)15-28(16-24)21-3-2-12-26-27-21;1-16-4-7-18(8-5-16)30-13-22(32)31(12-17-6-9-19(25)20(26)11-17)24(23(30)33)14-29(15-24)21-3-2-10-27-28-21;1-2-14-3-6-16(7-4-14)27-11-19(29)28(10-15-5-8-17(23)18(24)9-15)22(20(27)30)12-26(13-22)21(25)31;1-13(2)26-10-18(28)27(9-14-5-6-16(22)15(21)8-14)20(19(26)29)11-25(12-20)17-4-3-7-23-24-17/h2-3,6-9,12,17,20H,4-5,10-11,13-16H2,1H3;2-3,6,9-11,16,18H,4-5,7-8,12-15H2,1H3;5,8-9,14,16H,2-4,6-7,10-13H2,1H3,(H2,25,31);3-8,13H,9-12H2,1-2H3
InChIKeyLXAWNGJLHWKJSV-UHFFFAOYSA-N
MW1761.84 g/mol
LogP10.25
Rot. Bonds16

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

5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione (PubChem CID 167617105) has the molecular formula C90H104Cl2F5N19O9 and a molecular weight of 1761.84 g/mol. Its IUPAC name is 5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
PubChem CID167617105
Molecular FormulaC90H104Cl2F5N19O9
Molecular Weight1761.84 g/mol
Exact Mass1759.76
IUPAC Name5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESCC(C)N1CC(=O)N(Cc2ccc(F)c(Cl)c2)C2(CN(c3cccnn3)C2)C1=O.CC1CCC(N2CC(=O)N(Cc3ccc(Cl)cc3)C3(CN(c4cccnn4)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(F)c(F)c3)C3(CN(c4cccnn4)C3)C2=O)CC1.CCC1CCC(N2CC(=O)N(Cc3ccc(F)c(F)c3)C3(CN(C(N)=O)C3)C2=O)CC1
InChIInChI=1S/C24H28ClN5O2.C24H27F2N5O2.C22H28F2N4O3.C20H21ClFN5O2/c1-17-4-10-20(11-5-17)29-14-22(31)30(13-18-6-8-19(25)9-7-18)24(23(29)32)15-28(16-24)21-3-2-12-26-27-21;1-16-4-7-18(8-5-16)30-13-22(32)31(12-17-6-9-19(25)20(26)11-17)24(23(30)33)14-29(15-24)21-3-2-10-27-28-21;1-2-14-3-6-16(7-4-14)27-11-19(29)28(10-15-5-8-17(23)18(24)9-15)22(20(27)30)12-26(13-22)21(25)31;1-13(2)26-10-18(28)27(9-14-5-6-16(22)15(21)8-14)20(19(26)29)11-25(12-20)17-4-3-7-23-24-17/h2-3,6-9,12,17,20H,4-5,10-11,13-16H2,1H3;2-3,6,9-11,16,18H,4-5,7-8,12-15H2,1H3;5,8-9,14,16H,2-4,6-7,10-13H2,1H3,(H2,25,31);3-8,13H,9-12H2,1-2H3
InChIKeyLXAWNGJLHWKJSV-UHFFFAOYSA-N
XLogP10.25
TPSA295.87 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001761.84
LogP ≤ 510.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-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 5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione (CID 167617105) is 5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione is CC(C)N1CC(=O)N(Cc2ccc(F)c(Cl)c2)C2(CN(c3cccnn3)C2)C1=O.CC1CCC(N2CC(=O)N(Cc3ccc(Cl)cc3)C3(CN(c4cccnn4)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(F)c(F)c3)C3(CN(c4cccnn4)C3)C2=O)CC1.CCC1CCC(N2CC(=O)N(Cc3ccc(F)c(F)c3)C3(CN(C(N)=O)C3)C2=O)CC1.
What is the InChIKey of 5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The InChIKey is LXAWNGJLHWKJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2.C24H27F2N5O2.C22H28F2N4O3.C20H21ClFN5O2/c1-17-4-10-20(11-5-17)29-14-22(31)30(13-18-6-8-19(25)9-7-18)24(23(29)32)15-28(16-24)21-3-2-12-26-27-21;1-16-4-7-18(8-5-16)30-13-22(32)31(12-17-6-9-19(25)20(26)11-17)24(23(30)33)14-29(15-24)21-3-2-10-27-28-21;1-2-14-3-6-16(7-4-14)27-11-19(29)28(10-15-5-8-17(23)18(24)9-15)22(20(27)30)12-26(13-22)21(25)31;1-13(2)26-10-18(28)27(9-14-5-6-16(22)15(21)8-14)20(19(26)29)11-25(12-20)17-4-3-7-23-24-17/h2-3,6-9,12,17,20H,4-5,10-11,13-16H2,1H3;2-3,6,9-11,16,18H,4-5,7-8,12-15H2,1H3;5,8-9,14,16H,2-4,6-7,10-13H2,1H3,(H2,25,31);3-8,13H,9-12H2,1-2H3.
What are the key properties of 5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione has a molecular weight of 1761.84 g/mol, XLogP of 10.25, 16 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-fluorophenyl)methyl]-8-propan-2-yl-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(3,4-difluorophenyl)methyl]-8-(4-ethylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;5-[(3,4-difluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 167617105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).