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

C26H30F3N5O — CID 56657929

IUPAC2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide
SMILESCn1nc(NCC(=O)NC2CN(C3CCC(c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C26H30F3N5O/c1-33-23-12-9-19(26(27,28)29)13-22(23)25(32-33)30-14-24(35)31-20-15-34(16-20)21-10-7-18(8-11-21)17-5-3-2-4-6-17/h2-6,9,12-13,18,20-21H,7-8,10-11,14-16H2,1H3,(H,30,32)(H,31,35)
InChIKeyGWGRACKHWJVFCC-UHFFFAOYSA-N
MW485.55 g/mol
LogP4.53
Rot. Bonds6

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

2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide (PubChem CID 56657929) has the molecular formula C26H30F3N5O and a molecular weight of 485.55 g/mol. Its IUPAC name is 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide
PubChem CID56657929
Molecular FormulaC26H30F3N5O
Molecular Weight485.55 g/mol
Exact Mass485.24
IUPAC Name2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide
SMILESCn1nc(NCC(=O)NC2CN(C3CCC(c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C26H30F3N5O/c1-33-23-12-9-19(26(27,28)29)13-22(23)25(32-33)30-14-24(35)31-20-15-34(16-20)21-10-7-18(8-11-21)17-5-3-2-4-6-17/h2-6,9,12-13,18,20-21H,7-8,10-11,14-16H2,1H3,(H,30,32)(H,31,35)
InChIKeyGWGRACKHWJVFCC-UHFFFAOYSA-N
XLogP4.53
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-phenylcyclohexyl)azetidin-3-yl]acetamide?
The IUPAC name of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide (CID 56657929) is 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide.
What is the SMILES notation for 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide?
The canonical SMILES for 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide is Cn1nc(NCC(=O)NC2CN(C3CCC(c4ccccc4)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-phenylcyclohexyl)azetidin-3-yl]acetamide?
The InChIKey is GWGRACKHWJVFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N5O/c1-33-23-12-9-19(26(27,28)29)13-22(23)25(32-33)30-14-24(35)31-20-15-34(16-20)21-10-7-18(8-11-21)17-5-3-2-4-6-17/h2-6,9,12-13,18,20-21H,7-8,10-11,14-16H2,1H3,(H,30,32)(H,31,35).
What are the key properties of 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide?
2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide has a molecular weight of 485.55 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-5-(trifluoromethyl)indazol-3-yl]amino]-N-[1-(4-phenylcyclohexyl)azetidin-3-yl]acetamide is sourced from PubChem (CID 56657929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).