ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate

C24H22F3N7O2 — CID 69094270

IUPACethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cncc(N2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)n1
InChIInChI=1S/C24H22F3N7O2/c1-2-36-23(35)19-13-28-14-21(30-19)34-9-7-33(8-10-34)20-6-3-15(12-29-20)22-31-17-5-4-16(24(25,26)27)11-18(17)32-22/h3-6,11-14H,2,7-10H2,1H3,(H,31,32)
InChIKeyYKVVQDIEZRRRCY-UHFFFAOYSA-N
MW497.48 g/mol
LogP3.94
Rot. Bonds5

About ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate

ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate (PubChem CID 69094270) has the molecular formula C24H22F3N7O2 and a molecular weight of 497.48 g/mol. Its IUPAC name is ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate
PubChem CID69094270
Molecular FormulaC24H22F3N7O2
Molecular Weight497.48 g/mol
Exact Mass497.18
IUPAC Nameethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cncc(N2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)n1
InChIInChI=1S/C24H22F3N7O2/c1-2-36-23(35)19-13-28-14-21(30-19)34-9-7-33(8-10-34)20-6-3-15(12-29-20)22-31-17-5-4-16(24(25,26)27)11-18(17)32-22/h3-6,11-14H,2,7-10H2,1H3,(H,31,32)
InChIKeyYKVVQDIEZRRRCY-UHFFFAOYSA-N
XLogP3.94
TPSA100.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate with MolForge

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Related Compounds

3,3,3-trifluoro-1-[4-[(1R)-1-[2-[[6-[6-(methoxymethyl)pyrimidin-4-yl]-1H-benzimidazol-2-yl]amino]-4-pyridinyl]ethyl]piperazin-1-yl]propan-1-one
CID 155543566
4-morpholino-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 10006162
US10894784, Example 84.02
CID 129261362
3-(6-methyl-1H-benzimidazol-2-yl)-5-[3-(2-morpholin-4-ylethyl)phenyl]pyridin-2-amine;2,2,2-trifluoroacetic acid
CID 44525313
2-N-(5-morpholin-4-yl-2-pyridinyl)-6-N-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridine-2,6-diamine
CID 155553335
Methyl 2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidine-5-carboxylate
CID 68169812
Ethyl 4-amino-2-[3-[3-(2,2,2-trifluoroethylcarbamoylamino)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrimidine-5-carboxylate
CID 68169960
US9884868, Example 274C''
CID 122510556
US10894784, Example 134.02
CID 129245377
US10894784, Example 79.01
CID 129245624
US10894784, Example 90.02
CID 129245708
US10894784, Example 94.01
CID 129246075

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate (CID 69094270) is ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate is CCOC(=O)c1cncc(N2CCN(c3ccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)cn3)CC2)n1.
What is the InChIKey of ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate?
The InChIKey is YKVVQDIEZRRRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O2/c1-2-36-23(35)19-13-28-14-21(30-19)34-9-7-33(8-10-34)20-6-3-15(12-29-20)22-31-17-5-4-16(24(25,26)27)11-18(17)32-22/h3-6,11-14H,2,7-10H2,1H3,(H,31,32).
What are the key properties of ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate?
ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate has a molecular weight of 497.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]piperazin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 69094270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).