N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide

C22H20F6N4O — CID 166008900

IUPACN-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide
SMILESO=C(NC1CCC(Nc2cc(C(F)(F)F)nc(C(F)(F)F)c2)CC1)c1cccc2[nH]ccc12
InChIInChI=1S/C22H20F6N4O/c23-21(24,25)18-10-14(11-19(32-18)22(26,27)28)30-12-4-6-13(7-5-12)31-20(33)16-2-1-3-17-15(16)8-9-29-17/h1-3,8-13,29H,4-7H2,(H,30,32)(H,31,33)
InChIKeyQUBWSXGVVXAVQL-UHFFFAOYSA-N
MW470.42 g/mol
LogP5.75
Rot. Bonds4

About N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide

N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide (PubChem CID 166008900) has the molecular formula C22H20F6N4O and a molecular weight of 470.42 g/mol. Its IUPAC name is N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide
PubChem CID166008900
Molecular FormulaC22H20F6N4O
Molecular Weight470.42 g/mol
Exact Mass470.15
IUPAC NameN-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide
SMILESO=C(NC1CCC(Nc2cc(C(F)(F)F)nc(C(F)(F)F)c2)CC1)c1cccc2[nH]ccc12
InChIInChI=1S/C22H20F6N4O/c23-21(24,25)18-10-14(11-19(32-18)22(26,27)28)30-12-4-6-13(7-5-12)31-20(33)16-2-1-3-17-15(16)8-9-29-17/h1-3,8-13,29H,4-7H2,(H,30,32)(H,31,33)
InChIKeyQUBWSXGVVXAVQL-UHFFFAOYSA-N
XLogP5.75
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.42
LogP ≤ 55.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
N-(4-carbamoylcyclohexyl)-1H-indole-4-carboxamide
CID 61043628
N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-4-chlorobenzamide;sulfane
CID 167653712
3-acetamido-N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide
CID 163399498
N-(azepan-4-yl)-1H-indole-4-carboxamide
CID 107172324
N-piperidin-3-yl-1H-indole-4-carboxamide
CID 63321491
N-[(3R)-piperidin-3-yl]-1H-indole-4-carboxamide
CID 104645556
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1H-indole-3-carboxamide
CID 166009171
N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-3-(2-methylpropanoylamino)benzamide
CID 166008899
N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-indole-4-carboxamide
CID 20872294
N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide
CID 30772760
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)-1H-indole-4-carboxamide
CID 91132074

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide (CID 166008900) is N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide is O=C(NC1CCC(Nc2cc(C(F)(F)F)nc(C(F)(F)F)c2)CC1)c1cccc2[nH]ccc12.
What is the InChIKey of N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide?
The InChIKey is QUBWSXGVVXAVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F6N4O/c23-21(24,25)18-10-14(11-19(32-18)22(26,27)28)30-12-4-6-13(7-5-12)31-20(33)16-2-1-3-17-15(16)8-9-29-17/h1-3,8-13,29H,4-7H2,(H,30,32)(H,31,33).
What are the key properties of N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide?
N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide has a molecular weight of 470.42 g/mol, XLogP of 5.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2,6-bis(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 166008900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).