N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide

C73H101N19O8S2 — CID 158287885

IUPACN-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide
SMILESCCC1CCC(N2CC(NC(=O)CNc3nn(CCO)c4ccc(C)cc34)C2)CC1.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4nccs4)CC3)C1)nn2C(=O)NC(C)(C)C.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4nccs4)CC3)C1)nn2C(N)=O
InChIInChI=1S/C27H37N7O3S.C23H29N7O3S.C23H35N5O2/c1-17-5-6-21-20(13-17)23(32-34(21)25(36)31-26(2,3)4)29-14-22(35)30-18-15-33(16-18)19-7-9-27(37,10-8-19)24-28-11-12-38-24;1-14-2-3-18-17(10-14)20(28-30(18)22(24)32)26-11-19(31)27-15-12-29(13-15)16-4-6-23(33,7-5-16)21-25-8-9-34-21;1-3-17-5-7-19(8-6-17)27-14-18(15-27)25-22(30)13-24-23-20-12-16(2)4-9-21(20)28(26-23)10-11-29/h5-6,11-13,18-19,37H,7-10,14-16H2,1-4H3,(H,29,32)(H,30,35)(H,31,36);2-3,8-10,15-16,33H,4-7,11-13H2,1H3,(H2,24,32)(H,26,28)(H,27,31);4,9,12,17-19,29H,3,5-8,10-11,13-15H2,1-2H3,(H,24,26)(H,25,30)
InChIKeyGKZSTSLGPUDHDI-UHFFFAOYSA-N
MW1436.87 g/mol
LogP7.49
Rot. Bonds20

About N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide

N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide (PubChem CID 158287885) has the molecular formula C73H101N19O8S2 and a molecular weight of 1436.87 g/mol. Its IUPAC name is N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide
PubChem CID158287885
Molecular FormulaC73H101N19O8S2
Molecular Weight1436.87 g/mol
Exact Mass1435.75
IUPAC NameN-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide
SMILESCCC1CCC(N2CC(NC(=O)CNc3nn(CCO)c4ccc(C)cc34)C2)CC1.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4nccs4)CC3)C1)nn2C(=O)NC(C)(C)C.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4nccs4)CC3)C1)nn2C(N)=O
InChIInChI=1S/C27H37N7O3S.C23H29N7O3S.C23H35N5O2/c1-17-5-6-21-20(13-17)23(32-34(21)25(36)31-26(2,3)4)29-14-22(35)30-18-15-33(16-18)19-7-9-27(37,10-8-19)24-28-11-12-38-24;1-14-2-3-18-17(10-14)20(28-30(18)22(24)32)26-11-19(31)27-15-12-29(13-15)16-4-6-23(33,7-5-16)21-25-8-9-34-21;1-3-17-5-7-19(8-6-17)27-14-18(15-27)25-22(30)13-24-23-20-12-16(2)4-9-21(20)28(26-23)10-11-29/h5-6,11-13,18-19,37H,7-10,14-16H2,1-4H3,(H,29,32)(H,30,35)(H,31,36);2-3,8-10,15-16,33H,4-7,11-13H2,1H3,(H2,24,32)(H,26,28)(H,27,31);4,9,12,17-19,29H,3,5-8,10-11,13-15H2,1-2H3,(H,24,26)(H,25,30)
InChIKeyGKZSTSLGPUDHDI-UHFFFAOYSA-N
XLogP7.49
TPSA345.23 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001436.87
LogP ≤ 57.49
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide?
The IUPAC name of N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide (CID 158287885) is N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide?
The canonical SMILES for N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide is CCC1CCC(N2CC(NC(=O)CNc3nn(CCO)c4ccc(C)cc34)C2)CC1.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4nccs4)CC3)C1)nn2C(=O)NC(C)(C)C.Cc1ccc2c(c1)c(NCC(=O)NC1CN(C3CCC(O)(c4nccs4)CC3)C1)nn2C(N)=O.
What is the InChIKey of N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide?
The InChIKey is GKZSTSLGPUDHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N7O3S.C23H29N7O3S.C23H35N5O2/c1-17-5-6-21-20(13-17)23(32-34(21)25(36)31-26(2,3)4)29-14-22(35)30-18-15-33(16-18)19-7-9-27(37,10-8-19)24-28-11-12-38-24;1-14-2-3-18-17(10-14)20(28-30(18)22(24)32)26-11-19(31)27-15-12-29(13-15)16-4-6-23(33,7-5-16)21-25-8-9-34-21;1-3-17-5-7-19(8-6-17)27-14-18(15-27)25-22(30)13-24-23-20-12-16(2)4-9-21(20)28(26-23)10-11-29/h5-6,11-13,18-19,37H,7-10,14-16H2,1-4H3,(H,29,32)(H,30,35)(H,31,36);2-3,8-10,15-16,33H,4-7,11-13H2,1H3,(H2,24,32)(H,26,28)(H,27,31);4,9,12,17-19,29H,3,5-8,10-11,13-15H2,1-2H3,(H,24,26)(H,25,30).
What are the key properties of N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide?
N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide has a molecular weight of 1436.87 g/mol, XLogP of 7.49, 20 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide;N-[1-(4-ethylcyclohexyl)azetidin-3-yl]-2-[[1-(2-hydroxyethyl)-5-methylindazol-3-yl]amino]acetamide;3-[[2-[[1-[4-hydroxy-4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]-2-oxoethyl]amino]-5-methylindazole-1-carboxamide is sourced from PubChem (CID 158287885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).