6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone

C31H33ClF3N7O2 — CID 159273133

IUPAC6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ccc23)CC1.Clc1cc(N2CCC(c3ncc[nH]3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C16H17ClN4.C15H16F3N3O2/c17-12-9-14-13(1-4-18-14)15(10-12)21-7-2-11(3-8-21)16-19-5-6-20-16;1-10(22)20-4-6-21(7-5-20)14-9-11(23-15(16,17)18)8-13-12(14)2-3-19-13/h1,4-6,9-11,18H,2-3,7-8H2,(H,19,20);2-3,8-9,19H,4-7H2,1H3
InChIKeyKXYRKFDLFIIKLC-UHFFFAOYSA-N
MW628.10 g/mol
LogP6.66
Rot. Bonds4

About 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone

6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone (PubChem CID 159273133) has the molecular formula C31H33ClF3N7O2 and a molecular weight of 628.10 g/mol. Its IUPAC name is 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone
PubChem CID159273133
Molecular FormulaC31H33ClF3N7O2
Molecular Weight628.10 g/mol
Exact Mass627.23
IUPAC Name6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ccc23)CC1.Clc1cc(N2CCC(c3ncc[nH]3)CC2)c2cc[nH]c2c1
InChIInChI=1S/C16H17ClN4.C15H16F3N3O2/c17-12-9-14-13(1-4-18-14)15(10-12)21-7-2-11(3-8-21)16-19-5-6-20-16;1-10(22)20-4-6-21(7-5-20)14-9-11(23-15(16,17)18)8-13-12(14)2-3-19-13/h1,4-6,9-11,18H,2-3,7-8H2,(H,19,20);2-3,8-9,19H,4-7H2,1H3
InChIKeyKXYRKFDLFIIKLC-UHFFFAOYSA-N
XLogP6.66
TPSA96.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.10
LogP ≤ 56.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone 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-[(1S)-1-(4-chlorophenyl)ethyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide
CID 122445569
1-[(2S,4S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-(oxolan-3-ylmethylamino)piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 146449402
7-Chloro-2-(4-methoxyphenyl)-1-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)imidazo[4,5-c]quinoline
CID 17838518
1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 50995116
1-[1-[dideuterio(1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]indol-4-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 56928912
1-[1-[dideuterio(1H-pyrrolo[2,3-b]pyridin-4-yl)methyl]indol-4-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 56929636
2-[3-chloro-5-(trifluoromethoxy)anilino]-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 68064317
[(2S)-2-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]-(6-methoxy-1H-benzimidazol-2-yl)methanone
CID 68190167
1-[1-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)indol-4-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 68748165
1-[1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)indol-4-yl]-3-[3-(trifluoromethoxy)phenyl]urea;hydrochloride
CID 68749133
N-[(4-chlorophenyl)methyl]-3-[3-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridin-2-yl]propanamide
CID 122445734
1-[(2S,4S)-2-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-4-[(3-methylimidazol-4-yl)methylamino]piperidin-1-yl]-2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 135151673

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone (CID 159273133) is 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(OC(F)(F)F)cc3[nH]ccc23)CC1.Clc1cc(N2CCC(c3ncc[nH]3)CC2)c2cc[nH]c2c1.
What is the InChIKey of 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone?
The InChIKey is KXYRKFDLFIIKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4.C15H16F3N3O2/c17-12-9-14-13(1-4-18-14)15(10-12)21-7-2-11(3-8-21)16-19-5-6-20-16;1-10(22)20-4-6-21(7-5-20)14-9-11(23-15(16,17)18)8-13-12(14)2-3-19-13/h1,4-6,9-11,18H,2-3,7-8H2,(H,19,20);2-3,8-9,19H,4-7H2,1H3.
What are the key properties of 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone?
6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone has a molecular weight of 628.10 g/mol, XLogP of 6.66, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indole;1-[4-[6-(trifluoromethoxy)-1H-indol-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 159273133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).