5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione

C94H112ClF4N19O9 — CID 167638873

IUPAC5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESCC(F)C1CCC(N2CC(=O)N(Cc3ccc(F)cc3)C3(CN(c4ccnnc4)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(Cl)cc3)C3(CN(C(N)=O)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(F)cc3)C3(CN(c4cccnn4)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(F)cc3)C3(CN(c4ccnnc4)C3)C2=O)CC1
InChIInChI=1S/C25H29F2N5O2.2C24H28FN5O2.C21H27ClN4O3/c1-17(26)19-4-8-21(9-5-19)31-14-23(33)32(13-18-2-6-20(27)7-3-18)25(24(31)34)15-30(16-25)22-10-11-28-29-12-22;1-17-2-8-20(9-3-17)29-14-22(31)30(13-18-4-6-19(25)7-5-18)24(23(29)32)15-28(16-24)21-10-11-26-27-12-21;1-17-4-10-20(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;1-14-2-8-17(9-3-14)25-11-18(27)26(10-15-4-6-16(22)7-5-15)21(19(25)28)12-24(13-21)20(23)29/h2-3,6-7,10-12,17,19,21H,4-5,8-9,13-16H2,1H3;4-7,10-12,17,20H,2-3,8-9,13-16H2,1H3;2-3,6-9,12,17,20H,4-5,10-11,13-16H2,1H3;4-7,14,17H,2-3,8-13H2,1H3,(H2,23,29)
InChIKeyOWNSPHXRZLAQDZ-UHFFFAOYSA-N
MW1763.50 g/mol
LogP10.43
Rot. Bonds16

About 5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione

5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione (PubChem CID 167638873) has the molecular formula C94H112ClF4N19O9 and a molecular weight of 1763.50 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
PubChem CID167638873
Molecular FormulaC94H112ClF4N19O9
Molecular Weight1763.50 g/mol
Exact Mass1761.85
IUPAC Name5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione
SMILESCC(F)C1CCC(N2CC(=O)N(Cc3ccc(F)cc3)C3(CN(c4ccnnc4)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(Cl)cc3)C3(CN(C(N)=O)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(F)cc3)C3(CN(c4cccnn4)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(F)cc3)C3(CN(c4ccnnc4)C3)C2=O)CC1
InChIInChI=1S/C25H29F2N5O2.2C24H28FN5O2.C21H27ClN4O3/c1-17(26)19-4-8-21(9-5-19)31-14-23(33)32(13-18-2-6-20(27)7-3-18)25(24(31)34)15-30(16-25)22-10-11-28-29-12-22;1-17-2-8-20(9-3-17)29-14-22(31)30(13-18-4-6-19(25)7-5-18)24(23(29)32)15-28(16-24)21-10-11-26-27-12-21;1-17-4-10-20(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;1-14-2-8-17(9-3-14)25-11-18(27)26(10-15-4-6-16(22)7-5-15)21(19(25)28)12-24(13-21)20(23)29/h2-3,6-7,10-12,17,19,21H,4-5,8-9,13-16H2,1H3;4-7,10-12,17,20H,2-3,8-9,13-16H2,1H3;2-3,6-9,12,17,20H,4-5,10-11,13-16H2,1H3;4-7,14,17H,2-3,8-13H2,1H3,(H2,23,29)
InChIKeyOWNSPHXRZLAQDZ-UHFFFAOYSA-N
XLogP10.43
TPSA295.87 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001763.50
LogP ≤ 510.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze 5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-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-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione (CID 167638873) is 5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione is CC(F)C1CCC(N2CC(=O)N(Cc3ccc(F)cc3)C3(CN(c4ccnnc4)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(Cl)cc3)C3(CN(C(N)=O)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(F)cc3)C3(CN(c4cccnn4)C3)C2=O)CC1.CC1CCC(N2CC(=O)N(Cc3ccc(F)cc3)C3(CN(c4ccnnc4)C3)C2=O)CC1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
The InChIKey is OWNSPHXRZLAQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F2N5O2.2C24H28FN5O2.C21H27ClN4O3/c1-17(26)19-4-8-21(9-5-19)31-14-23(33)32(13-18-2-6-20(27)7-3-18)25(24(31)34)15-30(16-25)22-10-11-28-29-12-22;1-17-2-8-20(9-3-17)29-14-22(31)30(13-18-4-6-19(25)7-5-18)24(23(29)32)15-28(16-24)21-10-11-26-27-12-21;1-17-4-10-20(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;1-14-2-8-17(9-3-14)25-11-18(27)26(10-15-4-6-16(22)7-5-15)21(19(25)28)12-24(13-21)20(23)29/h2-3,6-7,10-12,17,19,21H,4-5,8-9,13-16H2,1H3;4-7,10-12,17,20H,2-3,8-9,13-16H2,1H3;2-3,6-9,12,17,20H,4-5,10-11,13-16H2,1H3;4-7,14,17H,2-3,8-13H2,1H3,(H2,23,29).
What are the key properties of 5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione?
5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione has a molecular weight of 1763.50 g/mol, XLogP of 10.43, 16 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-8-(4-methylcyclohexyl)-6,9-dioxo-2,5,8-triazaspiro[3.5]nonane-2-carboxamide;8-[4-(1-fluoroethyl)cyclohexyl]-5-[(4-fluorophenyl)methyl]-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-3-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione;5-[(4-fluorophenyl)methyl]-8-(4-methylcyclohexyl)-2-pyridazin-4-yl-2,5,8-triazaspiro[3.5]nonane-6,9-dione is sourced from PubChem (CID 167638873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).