2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide

C94H126N22O9S2 — CID 157232937

IUPAC2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide
SMILESCOc1ccc(C2(O)CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C)cc45)C3)CC2)cn1.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4cncs4)CC3)C1)nn2C.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4nccs4)CC3)C1)nn2C.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(C(C)C)CC4)C3)c2c1
InChIInChI=1S/C26H34N6O3.2C23H30N6O2S.C22H32N4O2/c1-17-4-6-22-21(12-17)25(30-31(22)2)28-14-23(33)29-19-15-32(16-19)20-8-10-26(34,11-9-20)18-5-7-24(35-3)27-13-18;1-15-3-4-19-18(9-15)22(27-28(19)2)25-11-21(30)26-16-12-29(13-16)17-5-7-23(31,8-6-17)20-10-24-14-32-20;1-15-3-4-19-18(11-15)21(27-28(19)2)25-12-20(30)26-16-13-29(14-16)17-5-7-23(31,8-6-17)22-24-9-10-32-22;1-14(2)16-5-7-18(8-6-16)26-12-17(13-26)24-21(27)11-23-22-19-10-15(3)4-9-20(19)28-25-22/h4-7,12-13,19-20,34H,8-11,14-16H2,1-3H3,(H,28,30)(H,29,33);3-4,9-10,14,16-17,31H,5-8,11-13H2,1-2H3,(H,25,27)(H,26,30);3-4,9-11,16-17,31H,5-8,12-14H2,1-2H3,(H,25,27)(H,26,30);4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyAUHRNDCYMVJQRK-UHFFFAOYSA-N
MW1772.32 g/mol
LogP10.65
Rot. Bonds25

About 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide

2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide (PubChem CID 157232937) has the molecular formula C94H126N22O9S2 and a molecular weight of 1772.32 g/mol. Its IUPAC name is 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide
PubChem CID157232937
Molecular FormulaC94H126N22O9S2
Molecular Weight1772.32 g/mol
Exact Mass1770.95
IUPAC Name2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide
SMILESCOc1ccc(C2(O)CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C)cc45)C3)CC2)cn1.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4cncs4)CC3)C1)nn2C.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4nccs4)CC3)C1)nn2C.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(C(C)C)CC4)C3)c2c1
InChIInChI=1S/C26H34N6O3.2C23H30N6O2S.C22H32N4O2/c1-17-4-6-22-21(12-17)25(30-31(22)2)28-14-23(33)29-19-15-32(16-19)20-8-10-26(34,11-9-20)18-5-7-24(35-3)27-13-18;1-15-3-4-19-18(9-15)22(27-28(19)2)25-11-21(30)26-16-12-29(13-16)17-5-7-23(31,8-6-17)20-10-24-14-32-20;1-15-3-4-19-18(11-15)21(27-28(19)2)25-12-20(30)26-16-13-29(14-16)17-5-7-23(31,8-6-17)22-24-9-10-32-22;1-14(2)16-5-7-18(8-6-16)26-12-17(13-26)24-21(27)11-23-22-19-10-15(3)4-9-20(19)28-25-22/h4-7,12-13,19-20,34H,8-11,14-16H2,1-3H3,(H,28,30)(H,29,33);3-4,9-10,14,16-17,31H,5-8,11-13H2,1-2H3,(H,25,27)(H,26,30);3-4,9-11,16-17,31H,5-8,12-14H2,1-2H3,(H,25,27)(H,26,30);4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,27)
InChIKeyAUHRNDCYMVJQRK-UHFFFAOYSA-N
XLogP10.65
TPSA365.56 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001772.32
LogP ≤ 510.65
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Analyze 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide?
The IUPAC name of 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide (CID 157232937) is 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide.
What is the SMILES notation for 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide?
The canonical SMILES for 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide is COc1ccc(C2(O)CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C)cc45)C3)CC2)cn1.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4cncs4)CC3)C1)nn2C.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4nccs4)CC3)C1)nn2C.Cc1ccc2onc(NCC(=O)NC3CN(C4CCC(C(C)C)CC4)C3)c2c1.
What is the InChIKey of 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide?
The InChIKey is AUHRNDCYMVJQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O3.2C23H30N6O2S.C22H32N4O2/c1-17-4-6-22-21(12-17)25(30-31(22)2)28-14-23(33)29-19-15-32(16-19)20-8-10-26(34,11-9-20)18-5-7-24(35-3)27-13-18;1-15-3-4-19-18(9-15)22(27-28(19)2)25-11-21(30)26-16-12-29(13-16)17-5-7-23(31,8-6-17)20-10-24-14-32-20;1-15-3-4-19-18(11-15)21(27-28(19)2)25-12-20(30)26-16-13-29(14-16)17-5-7-23(31,8-6-17)22-24-9-10-32-22;1-14(2)16-5-7-18(8-6-16)26-12-17(13-26)24-21(27)11-23-22-19-10-15(3)4-9-20(19)28-25-22/h4-7,12-13,19-20,34H,8-11,14-16H2,1-3H3,(H,28,30)(H,29,33);3-4,9-10,14,16-17,31H,5-8,11-13H2,1-2H3,(H,25,27)(H,26,30);3-4,9-11,16-17,31H,5-8,12-14H2,1-2H3,(H,25,27)(H,26,30);4,9-10,14,16-18H,5-8,11-13H2,1-3H3,(H,23,25)(H,24,27).
What are the key properties of 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide?
2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide has a molecular weight of 1772.32 g/mol, XLogP of 10.65, 25 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(6-methoxy-3-pyridinyl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(1,5-dimethylindazol-3-yl)amino]-N-[1-[4-hydroxy-4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide;2-[(5-methyl-1,2-benzoxazol-3-yl)amino]-N-[1-(4-propan-2-ylcyclohexyl)azetidin-3-yl]acetamide is sourced from PubChem (CID 157232937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).