1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide

C22H20F3N5O — CID 163399648

IUPAC1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide
SMILESN#Cc1ccc(NC2CCC(n3ncc4c(C(N)=O)cccc43)CC2)cc1C(F)(F)F
InChIInChI=1S/C22H20F3N5O/c23-22(24,25)19-10-15(5-4-13(19)11-26)29-14-6-8-16(9-7-14)30-20-3-1-2-17(21(27)31)18(20)12-28-30/h1-5,10,12,14,16,29H,6-9H2,(H2,27,31)
InChIKeyBQLGDJJRMNJAQJ-UHFFFAOYSA-N
MW427.43 g/mol
LogP4.62
Rot. Bonds4

About 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide

1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide (PubChem CID 163399648) has the molecular formula C22H20F3N5O and a molecular weight of 427.43 g/mol. Its IUPAC name is 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide
PubChem CID163399648
Molecular FormulaC22H20F3N5O
Molecular Weight427.43 g/mol
Exact Mass427.16
IUPAC Name1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide
SMILESN#Cc1ccc(NC2CCC(n3ncc4c(C(N)=O)cccc43)CC2)cc1C(F)(F)F
InChIInChI=1S/C22H20F3N5O/c23-22(24,25)19-10-15(5-4-13(19)11-26)29-14-6-8-16(9-7-14)30-20-3-1-2-17(21(27)31)18(20)12-28-30/h1-5,10,12,14,16,29H,6-9H2,(H2,27,31)
InChIKeyBQLGDJJRMNJAQJ-UHFFFAOYSA-N
XLogP4.62
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide?
The IUPAC name of 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide (CID 163399648) is 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide.
What is the SMILES notation for 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide?
The canonical SMILES for 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide is N#Cc1ccc(NC2CCC(n3ncc4c(C(N)=O)cccc43)CC2)cc1C(F)(F)F.
What is the InChIKey of 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide?
The InChIKey is BQLGDJJRMNJAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O/c23-22(24,25)19-10-15(5-4-13(19)11-26)29-14-6-8-16(9-7-14)30-20-3-1-2-17(21(27)31)18(20)12-28-30/h1-5,10,12,14,16,29H,6-9H2,(H2,27,31).
What are the key properties of 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide?
1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide has a molecular weight of 427.43 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide is sourced from PubChem (CID 163399648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).