N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide

C129H183N27O12S2 — CID 159677164

IUPACN-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide
SMILESC=CCn1nc(NCC(=O)NC2CN(C3CCC(C(C)=O)CC3)C2)c2cc(C)ccc21.C=CCn1nc(NCC(=O)NC2CN(C3CCC(C4CCCCC4)CC3)C2)c2cc(C)ccc21.CC(=O)C1CCC(N2CC(NC(=O)CNc3nn(S(C)(=O)=O)c4ccc(C)cc34)C2)CC1.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(C4CCCCC4)CC3)C1)nn2C(=O)NC(C)C.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(c4ccc(C)nc4)CC3)C1)nn2S(C)(=O)=O
InChIInChI=1S/C29H44N6O2.C28H41N5O.C26H34N6O3S.C24H33N5O2.C22H31N5O4S/c1-19(2)31-29(37)35-26-14-9-20(3)15-25(26)28(33-35)30-16-27(36)32-23-17-34(18-23)24-12-10-22(11-13-24)21-7-5-4-6-8-21;1-3-15-33-26-14-9-20(2)16-25(26)28(31-33)29-17-27(34)30-23-18-32(19-23)24-12-10-22(11-13-24)21-7-5-4-6-8-21;1-17-4-11-24-23(12-17)26(30-32(24)36(3,34)35)28-14-25(33)29-21-15-31(16-21)22-9-7-19(8-10-22)20-6-5-18(2)27-13-20;1-4-11-29-22-10-5-16(2)12-21(22)24(27-29)25-13-23(31)26-19-14-28(15-19)20-8-6-18(7-9-20)17(3)30;1-14-4-9-20-19(10-14)22(25-27(20)32(3,30)31)23-11-21(29)24-17-12-26(13-17)18-7-5-16(6-8-18)15(2)28/h9,14-15,19,21-24H,4-8,10-13,16-18H2,1-3H3,(H,30,33)(H,31,37)(H,32,36);3,9,14,16,21-24H,1,4-8,10-13,15,17-19H2,2H3,(H,29,31)(H,30,34);4-6,11-13,19,21-22H,7-10,14-16H2,1-3H3,(H,28,30)(H,29,33);4-5,10,12,18-20H,1,6-9,11,13-15H2,2-3H3,(H,25,27)(H,26,31);4,9-10,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,29)
InChIKeyMUTAUHMMRBJFAT-UHFFFAOYSA-N
MW2368.19 g/mol
LogP16.74
Rot. Bonds37

About N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide

N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide (PubChem CID 159677164) has the molecular formula C129H183N27O12S2 and a molecular weight of 2368.19 g/mol. Its IUPAC name is N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide
PubChem CID159677164
Molecular FormulaC129H183N27O12S2
Molecular Weight2368.19 g/mol
Exact Mass2366.40
IUPAC NameN-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide
SMILESC=CCn1nc(NCC(=O)NC2CN(C3CCC(C(C)=O)CC3)C2)c2cc(C)ccc21.C=CCn1nc(NCC(=O)NC2CN(C3CCC(C4CCCCC4)CC3)C2)c2cc(C)ccc21.CC(=O)C1CCC(N2CC(NC(=O)CNc3nn(S(C)(=O)=O)c4ccc(C)cc34)C2)CC1.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(C4CCCCC4)CC3)C1)nn2C(=O)NC(C)C.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(c4ccc(C)nc4)CC3)C1)nn2S(C)(=O)=O
InChIInChI=1S/C29H44N6O2.C28H41N5O.C26H34N6O3S.C24H33N5O2.C22H31N5O4S/c1-19(2)31-29(37)35-26-14-9-20(3)15-25(26)28(33-35)30-16-27(36)32-23-17-34(18-23)24-12-10-22(11-13-24)21-7-5-4-6-8-21;1-3-15-33-26-14-9-20(2)16-25(26)28(31-33)29-17-27(34)30-23-18-32(19-23)24-12-10-22(11-13-24)21-7-5-4-6-8-21;1-17-4-11-24-23(12-17)26(30-32(24)36(3,34)35)28-14-25(33)29-21-15-31(16-21)22-9-7-19(8-10-22)20-6-5-18(2)27-13-20;1-4-11-29-22-10-5-16(2)12-21(22)24(27-29)25-13-23(31)26-19-14-28(15-19)20-8-6-18(7-9-20)17(3)30;1-14-4-9-20-19(10-14)22(25-27(20)32(3,30)31)23-11-21(29)24-17-12-26(13-17)18-7-5-16(6-8-18)15(2)28/h9,14-15,19,21-24H,4-8,10-13,16-18H2,1-3H3,(H,30,33)(H,31,37)(H,32,36);3,9,14,16,21-24H,1,4-8,10-13,15,17-19H2,2H3,(H,29,31)(H,30,34);4-6,11-13,19,21-22H,7-10,14-16H2,1-3H3,(H,28,30)(H,29,33);4-5,10,12,18-20H,1,6-9,11,13-15H2,2-3H3,(H,25,27)(H,26,31);4,9-10,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,29)
InChIKeyMUTAUHMMRBJFAT-UHFFFAOYSA-N
XLogP16.74
TPSA455.36 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds37
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002368.19
LogP ≤ 516.74
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]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-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide?
The IUPAC name of N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide (CID 159677164) is N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide?
The canonical SMILES for N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide is C=CCn1nc(NCC(=O)NC2CN(C3CCC(C(C)=O)CC3)C2)c2cc(C)ccc21.C=CCn1nc(NCC(=O)NC2CN(C3CCC(C4CCCCC4)CC3)C2)c2cc(C)ccc21.CC(=O)C1CCC(N2CC(NC(=O)CNc3nn(S(C)(=O)=O)c4ccc(C)cc34)C2)CC1.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(C4CCCCC4)CC3)C1)nn2C(=O)NC(C)C.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(c4ccc(C)nc4)CC3)C1)nn2S(C)(=O)=O.
What is the InChIKey of N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide?
The InChIKey is MUTAUHMMRBJFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N6O2.C28H41N5O.C26H34N6O3S.C24H33N5O2.C22H31N5O4S/c1-19(2)31-29(37)35-26-14-9-20(3)15-25(26)28(33-35)30-16-27(36)32-23-17-34(18-23)24-12-10-22(11-13-24)21-7-5-4-6-8-21;1-3-15-33-26-14-9-20(2)16-25(26)28(31-33)29-17-27(34)30-23-18-32(19-23)24-12-10-22(11-13-24)21-7-5-4-6-8-21;1-17-4-11-24-23(12-17)26(30-32(24)36(3,34)35)28-14-25(33)29-21-15-31(16-21)22-9-7-19(8-10-22)20-6-5-18(2)27-13-20;1-4-11-29-22-10-5-16(2)12-21(22)24(27-29)25-13-23(31)26-19-14-28(15-19)20-8-6-18(7-9-20)17(3)30;1-14-4-9-20-19(10-14)22(25-27(20)32(3,30)31)23-11-21(29)24-17-12-26(13-17)18-7-5-16(6-8-18)15(2)28/h9,14-15,19,21-24H,4-8,10-13,16-18H2,1-3H3,(H,30,33)(H,31,37)(H,32,36);3,9,14,16,21-24H,1,4-8,10-13,15,17-19H2,2H3,(H,29,31)(H,30,34);4-6,11-13,19,21-22H,7-10,14-16H2,1-3H3,(H,28,30)(H,29,33);4-5,10,12,18-20H,1,6-9,11,13-15H2,2-3H3,(H,25,27)(H,26,31);4,9-10,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,29).
What are the key properties of N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide?
N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide has a molecular weight of 2368.19 g/mol, XLogP of 16.74, 37 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]acetamide;N-[1-(4-acetylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;3-[[2-[[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methyl-N-propan-2-ylindazole-1-carboxamide;N-[1-(4-cyclohexylcyclohexyl)azetidin-3-yl]-2-[(5-methyl-1-prop-2-enylindazol-3-yl)amino]acetamide;2-[(5-methyl-1-methylsulfonylindazol-3-yl)amino]-N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 159677164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).