N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane

C22H24F3N5OS2 — CID 167579715

IUPACN-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane
SMILESN#Cc1ccc(NC2CCC(NC(=O)c3ccc4nccn4c3)CC2)cc1C(F)(F)F.S.S
InChIInChI=1S/C22H20F3N5O.2H2S/c23-22(24,25)19-11-18(3-1-14(19)12-26)28-16-4-6-17(7-5-16)29-21(31)15-2-8-20-27-9-10-30(20)13-15;;/h1-3,8-11,13,16-17,28H,4-7H2,(H,29,31);2*1H2
InChIKeyHAASQOJVELJAKR-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.60
Rot. Bonds4

About N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane

N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane (PubChem CID 167579715) has the molecular formula C22H24F3N5OS2 and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane.

Molecular Properties

Compound NameN-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane
PubChem CID167579715
Molecular FormulaC22H24F3N5OS2
Molecular Weight495.60 g/mol
Exact Mass495.14
IUPAC NameN-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane
SMILESN#Cc1ccc(NC2CCC(NC(=O)c3ccc4nccn4c3)CC2)cc1C(F)(F)F.S.S
InChIInChI=1S/C22H20F3N5O.2H2S/c23-22(24,25)19-11-18(3-1-14(19)12-26)28-16-4-6-17(7-5-16)29-21(31)15-2-8-20-27-9-10-30(20)13-15;;/h1-3,8-11,13,16-17,28H,4-7H2,(H,29,31);2*1H2
InChIKeyHAASQOJVELJAKR-UHFFFAOYSA-N
XLogP4.60
TPSA82.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane with MolForge

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Related Compounds

N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]-4-methoxybenzamide
CID 163399624
N-cycloheptylimidazo[1,2-a]pyridine-6-carboxamide
CID 110704018
N-(4-aminocyclohexyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 119476017
tert-butyl N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]carbamate
CID 163399584
4-(piperidin-4-ylamino)-2-(trifluoromethyl)benzonitrile
CID 43345818
1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]pyrrolo[2,3-c]pyridine-3-carboxamide
CID 163399619
4-(oxan-3-ylamino)-2-(trifluoromethyl)benzonitrile
CID 63361800
N-[4-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]cyclohexyl]pyridine-2-carboxamide
CID 163495401
4-[(3-methylsulfanylcyclopentyl)amino]-2-(trifluoromethyl)benzonitrile
CID 103704206
1-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]indazole-4-carboxamide
CID 163399648
4-(hydroxyamino)-2-(trifluoromethyl)benzonitrile
CID 59235207
N-[4-[4-cyano-3-methyl-5-(trifluoromethyl)anilino]cyclohexyl]-2,6-dimethylpyridine-4-carboxamide
CID 163399527

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane?
The IUPAC name of N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane (CID 167579715) is N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane.
What is the SMILES notation for N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane?
The canonical SMILES for N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane is N#Cc1ccc(NC2CCC(NC(=O)c3ccc4nccn4c3)CC2)cc1C(F)(F)F.S.S.
What is the InChIKey of N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane?
The InChIKey is HAASQOJVELJAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O.2H2S/c23-22(24,25)19-11-18(3-1-14(19)12-26)28-16-4-6-17(7-5-16)29-21(31)15-2-8-20-27-9-10-30(20)13-15;;/h1-3,8-11,13,16-17,28H,4-7H2,(H,29,31);2*1H2.
What are the key properties of N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane?
N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane has a molecular weight of 495.60 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]imidazo[1,2-a]pyridine-6-carboxamide;sulfane is sourced from PubChem (CID 167579715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).