2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole

C24H19N5S — CID 145254867

IUPAC2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole
SMILESC=C(/C=c1/c(-c2cc3c(-c4ccsc4)cccc3[nH]2)n[nH]/c1=C/C)c1cnccn1
InChIInChI=1S/C24H19N5S/c1-3-20-19(11-15(2)23-13-25-8-9-26-23)24(29-28-20)22-12-18-17(16-7-10-30-14-16)5-4-6-21(18)27-22/h3-14,27-28H,2H2,1H3/b19-11+,20-3+
InChIKeyZUCIZGAGQMXIFF-ORSQVFJOSA-N
MW409.52 g/mol
LogP4.37
Rot. Bonds4

About 2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole

2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole (PubChem CID 145254867) has the molecular formula C24H19N5S and a molecular weight of 409.52 g/mol. Its IUPAC name is 2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole.

Molecular Properties

Compound Name2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole
PubChem CID145254867
Molecular FormulaC24H19N5S
Molecular Weight409.52 g/mol
Exact Mass409.14
IUPAC Name2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole
SMILESC=C(/C=c1/c(-c2cc3c(-c4ccsc4)cccc3[nH]2)n[nH]/c1=C/C)c1cnccn1
InChIInChI=1S/C24H19N5S/c1-3-20-19(11-15(2)23-13-25-8-9-26-23)24(29-28-20)22-12-18-17(16-7-10-30-14-16)5-4-6-21(18)27-22/h3-14,27-28H,2H2,1H3/b19-11+,20-3+
InChIKeyZUCIZGAGQMXIFF-ORSQVFJOSA-N
XLogP4.37
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole
CID 145254994
2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
CID 145246024
5-[(3E)-3-[(5E)-5-ethylidene-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-(3-phenylprop-1-en-2-yl)pyridin-3-amine
CID 145246296
5-pyridin-2-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137114124
5-pyrimidin-5-yl-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 137103267
1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine
CID 145245987
5-[3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137115075
5-(1H-pyrazol-4-yl)-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazole
CID 137116462
2-[(4E,5E)-5-ethylidene-4-(2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 137033955
2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-indole
CID 145254677
N-[[5-[(3E)-3-[(5E)-5-ethylidene-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137102925
2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
CID 145034014

Frequently Asked Questions

What is the IUPAC name of 2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole?
The IUPAC name of 2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole (CID 145254867) is 2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole.
What is the SMILES notation for 2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole?
The canonical SMILES for 2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole is C=C(/C=c1/c(-c2cc3c(-c4ccsc4)cccc3[nH]2)n[nH]/c1=C/C)c1cnccn1.
What is the InChIKey of 2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole?
The InChIKey is ZUCIZGAGQMXIFF-ORSQVFJOSA-N. The full InChI is InChI=1S/C24H19N5S/c1-3-20-19(11-15(2)23-13-25-8-9-26-23)24(29-28-20)22-12-18-17(16-7-10-30-14-16)5-4-6-21(18)27-22/h3-14,27-28H,2H2,1H3/b19-11+,20-3+.
What are the key properties of 2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole?
2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole has a molecular weight of 409.52 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole is sourced from PubChem (CID 145254867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).