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

C23H27F3N6OS — CID 56678508

IUPAC2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide
SMILESCn1nc(NCC(=O)NC2CN(C3CCC(c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H27F3N6OS/c1-31-19-7-4-15(23(24,25)26)10-18(19)21(30-31)28-11-20(33)29-16-12-32(13-16)17-5-2-14(3-6-17)22-27-8-9-34-22/h4,7-10,14,16-17H,2-3,5-6,11-13H2,1H3,(H,28,30)(H,29,33)
InChIKeyKODYZMOGJJLGIT-UHFFFAOYSA-N
MW492.57 g/mol
LogP3.99
Rot. Bonds6

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

2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide (PubChem CID 56678508) has the molecular formula C23H27F3N6OS and a molecular weight of 492.57 g/mol. Its IUPAC name is 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide
PubChem CID56678508
Molecular FormulaC23H27F3N6OS
Molecular Weight492.57 g/mol
Exact Mass492.19
IUPAC Name2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide
SMILESCn1nc(NCC(=O)NC2CN(C3CCC(c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C23H27F3N6OS/c1-31-19-7-4-15(23(24,25)26)10-18(19)21(30-31)28-11-20(33)29-16-12-32(13-16)17-5-2-14(3-6-17)22-27-8-9-34-22/h4,7-10,14,16-17H,2-3,5-6,11-13H2,1H3,(H,28,30)(H,29,33)
InChIKeyKODYZMOGJJLGIT-UHFFFAOYSA-N
XLogP3.99
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide?
The IUPAC name of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide (CID 56678508) is 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide.
What is the SMILES notation for 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide?
The canonical SMILES for 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide is Cn1nc(NCC(=O)NC2CN(C3CCC(c4nccs4)CC3)C2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide?
The InChIKey is KODYZMOGJJLGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6OS/c1-31-19-7-4-15(23(24,25)26)10-18(19)21(30-31)28-11-20(33)29-16-12-32(13-16)17-5-2-14(3-6-17)22-27-8-9-34-22/h4,7-10,14,16-17H,2-3,5-6,11-13H2,1H3,(H,28,30)(H,29,33).
What are the key properties of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide?
2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide has a molecular weight of 492.57 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-[4-(1,3-thiazol-2-yl)cyclohexyl]azetidin-3-yl]acetamide is sourced from PubChem (CID 56678508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).