N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

C25H31F3N6OS — CID 56662695

IUPACN-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
SMILESCCc1ncc(C2CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1
InChIInChI=1S/C25H31F3N6OS/c1-3-23-29-11-21(36-23)15-4-7-18(8-5-15)34-13-17(14-34)31-22(35)12-30-24-19-10-16(25(26,27)28)6-9-20(19)33(2)32-24/h6,9-11,15,17-18H,3-5,7-8,12-14H2,1-2H3,(H,30,32)(H,31,35)
InChIKeyPGRNRBAPTURBFI-UHFFFAOYSA-N
MW520.63 g/mol
LogP4.55
Rot. Bonds7

About N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide

N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (PubChem CID 56662695) has the molecular formula C25H31F3N6OS and a molecular weight of 520.63 g/mol. Its IUPAC name is N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
PubChem CID56662695
Molecular FormulaC25H31F3N6OS
Molecular Weight520.63 g/mol
Exact Mass520.22
IUPAC NameN-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
SMILESCCc1ncc(C2CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1
InChIInChI=1S/C25H31F3N6OS/c1-3-23-29-11-21(36-23)15-4-7-18(8-5-15)34-13-17(14-34)31-22(35)12-30-24-19-10-16(25(26,27)28)6-9-20(19)33(2)32-24/h6,9-11,15,17-18H,3-5,7-8,12-14H2,1-2H3,(H,30,32)(H,31,35)
InChIKeyPGRNRBAPTURBFI-UHFFFAOYSA-N
XLogP4.55
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.63
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(S)-N1-(5-(3-amino-1-methyl-1H-indazol-6-yl)thiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 23654341
N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
CID 56671795
2-[[1-(2-hydroxyethyl)-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide
CID 56659196
N-[1-[4-(2-methyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
CID 56659197
N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
CID 56661451
N-[1-[4-(1-methylpyrazol-3-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
CID 56669631
2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-pyridin-3-ylcyclohexyl)azetidin-3-yl]acetamide
CID 56671793
2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide
CID 56678507
2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide
CID 56678508
3-[[2-Oxo-2-[[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]amino]ethyl]amino]-5-(trifluoromethyl)indazole-1-carboxamide
CID 56683044
2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(2-propan-2-yl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]acetamide
CID 56683116
N-[1-[4-(1-methylimidazol-2-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide
CID 56676473

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The IUPAC name of N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide (CID 56662695) is N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide.
What is the SMILES notation for N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The canonical SMILES for N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is CCc1ncc(C2CCC(N3CC(NC(=O)CNc4nn(C)c5ccc(C(F)(F)F)cc45)C3)CC2)s1.
What is the InChIKey of N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
The InChIKey is PGRNRBAPTURBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N6OS/c1-3-23-29-11-21(36-23)15-4-7-18(8-5-15)34-13-17(14-34)31-22(35)12-30-24-19-10-16(25(26,27)28)6-9-20(19)33(2)32-24/h6,9-11,15,17-18H,3-5,7-8,12-14H2,1-2H3,(H,30,32)(H,31,35).
What are the key properties of N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide?
N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide has a molecular weight of 520.63 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-ethyl-1,3-thiazol-5-yl)cyclohexyl]azetidin-3-yl]-2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]acetamide is sourced from PubChem (CID 56662695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).