N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide

C109H159N25O9 — CID 161240665

IUPACN-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide
SMILESC=CCOC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C)cc34)C2)CC1.CC(=O)C1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C)cc34)C2)CC1.CCOC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C)cc34)C2)CC1.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(C)CC3)C1)nn2C.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(CO)CC3)C1)nn2C
InChIInChI=1S/C23H33N5O2.C22H31N5O2.C22H33N5O2.C21H31N5O2.C21H31N5O/c1-4-11-30-19-8-6-18(7-9-19)28-14-17(15-28)25-22(29)13-24-23-20-12-16(2)5-10-21(20)27(3)26-23;1-14-4-9-20-19(10-14)22(25-26(20)3)23-11-21(29)24-17-12-27(13-17)18-7-5-16(6-8-18)15(2)28;1-4-29-18-8-6-17(7-9-18)27-13-16(14-27)24-21(28)12-23-22-19-11-15(2)5-10-20(19)26(3)25-22;1-14-3-8-19-18(9-14)21(24-25(19)2)22-10-20(28)23-16-11-26(12-16)17-6-4-15(13-27)5-7-17;1-14-4-7-17(8-5-14)26-12-16(13-26)23-20(27)11-22-21-18-10-15(2)6-9-19(18)25(3)24-21/h4-5,10,12,17-19H,1,6-9,11,13-15H2,2-3H3,(H,24,26)(H,25,29);4,9-10,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,29);5,10-11,16-18H,4,6-9,12-14H2,1-3H3,(H,23,25)(H,24,28);3,8-9,15-17,27H,4-7,10-13H2,1-2H3,(H,22,24)(H,23,28);6,9-10,14,16-17H,4-5,7-8,11-13H2,1-3H3,(H,22,24)(H,23,27)
InChIKeyUZYLZVFGRRYBOC-UHFFFAOYSA-N
MW1963.64 g/mol
LogP11.61
Rot. Bonds32

About N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide

N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide (PubChem CID 161240665) has the molecular formula C109H159N25O9 and a molecular weight of 1963.64 g/mol. Its IUPAC name is N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide
PubChem CID161240665
Molecular FormulaC109H159N25O9
Molecular Weight1963.64 g/mol
Exact Mass1962.28
IUPAC NameN-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide
SMILESC=CCOC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C)cc34)C2)CC1.CC(=O)C1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C)cc34)C2)CC1.CCOC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C)cc34)C2)CC1.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(C)CC3)C1)nn2C.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(CO)CC3)C1)nn2C
InChIInChI=1S/C23H33N5O2.C22H31N5O2.C22H33N5O2.C21H31N5O2.C21H31N5O/c1-4-11-30-19-8-6-18(7-9-19)28-14-17(15-28)25-22(29)13-24-23-20-12-16(2)5-10-21(20)27(3)26-23;1-14-4-9-20-19(10-14)22(25-26(20)3)23-11-21(29)24-17-12-27(13-17)18-7-5-16(6-8-18)15(2)28;1-4-29-18-8-6-17(7-9-18)27-13-16(14-27)24-21(28)12-23-22-19-11-15(2)5-10-20(19)26(3)25-22;1-14-3-8-19-18(9-14)21(24-25(19)2)22-10-20(28)23-16-11-26(12-16)17-6-4-15(13-27)5-7-17;1-14-4-7-17(8-5-14)26-12-16(13-26)23-20(27)11-22-21-18-10-15(2)6-9-19(18)25(3)24-21/h4-5,10,12,17-19H,1,6-9,11,13-15H2,2-3H3,(H,24,26)(H,25,29);4,9-10,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,29);5,10-11,16-18H,4,6-9,12-14H2,1-3H3,(H,23,25)(H,24,28);3,8-9,15-17,27H,4-7,10-13H2,1-2H3,(H,22,24)(H,23,28);6,9-10,14,16-17H,4-5,7-8,11-13H2,1-3H3,(H,22,24)(H,23,27)
InChIKeyUZYLZVFGRRYBOC-UHFFFAOYSA-N
XLogP11.61
TPSA366.71 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001963.64
LogP ≤ 511.61
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide?
The IUPAC name of N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide (CID 161240665) is N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide?
The canonical SMILES for N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide is C=CCOC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C)cc34)C2)CC1.CC(=O)C1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C)cc34)C2)CC1.CCOC1CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C)cc34)C2)CC1.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(C)CC3)C1)nn2C.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(CO)CC3)C1)nn2C.
What is the InChIKey of N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide?
The InChIKey is UZYLZVFGRRYBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2.C22H31N5O2.C22H33N5O2.C21H31N5O2.C21H31N5O/c1-4-11-30-19-8-6-18(7-9-19)28-14-17(15-28)25-22(29)13-24-23-20-12-16(2)5-10-21(20)27(3)26-23;1-14-4-9-20-19(10-14)22(25-26(20)3)23-11-21(29)24-17-12-27(13-17)18-7-5-16(6-8-18)15(2)28;1-4-29-18-8-6-17(7-9-18)27-13-16(14-27)24-21(28)12-23-22-19-11-15(2)5-10-20(19)26(3)25-22;1-14-3-8-19-18(9-14)21(24-25(19)2)22-10-20(28)23-16-11-26(12-16)17-6-4-15(13-27)5-7-17;1-14-4-7-17(8-5-14)26-12-16(13-26)23-20(27)11-22-21-18-10-15(2)6-9-19(18)25(3)24-21/h4-5,10,12,17-19H,1,6-9,11,13-15H2,2-3H3,(H,24,26)(H,25,29);4,9-10,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,29);5,10-11,16-18H,4,6-9,12-14H2,1-3H3,(H,23,25)(H,24,28);3,8-9,15-17,27H,4-7,10-13H2,1-2H3,(H,22,24)(H,23,28);6,9-10,14,16-17H,4-5,7-8,11-13H2,1-3H3,(H,22,24)(H,23,27).
What are the key properties of N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide?
N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide has a molecular weight of 1963.64 g/mol, XLogP of 11.61, 32 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(1,5-dimethylindazol-3-yl)amino]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-ethoxycyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-(hydroxymethyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-methylcyclohexyl)azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-(4-prop-2-enoxycyclohexyl)azetidin-3-yl]acetamide is sourced from PubChem (CID 161240665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).