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

C23H19N7S — CID 145034014

IUPAC2-[(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
SMILESC=C(/C=c1/c(-c2nc3c(-c4ccc(C)s4)nccc3[nH]2)n[nH]/c1=C/C)c1cnccn1
InChIInChI=1S/C23H19N7S/c1-4-16-15(11-13(2)18-12-24-9-10-25-18)20(30-29-16)23-27-17-7-8-26-22(21(17)28-23)19-6-5-14(3)31-19/h4-12,29H,2H2,1,3H3,(H,27,28)/b15-11+,16-4+
InChIKeyFSIMFZBARVVYCU-NELPRSFPSA-N
MW425.52 g/mol
LogP3.47
Rot. Bonds4

About 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

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 (PubChem CID 145034014) has the molecular formula C23H19N7S and a molecular weight of 425.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID145034014
Molecular FormulaC23H19N7S
Molecular Weight425.52 g/mol
Exact Mass425.14
IUPAC Name2-[(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
SMILESC=C(/C=c1/c(-c2nc3c(-c4ccc(C)s4)nccc3[nH]2)n[nH]/c1=C/C)c1cnccn1
InChIInChI=1S/C23H19N7S/c1-4-16-15(11-13(2)18-12-24-9-10-25-18)20(30-29-16)23-27-17-7-8-26-22(21(17)28-23)19-6-5-14(3)31-19/h4-12,29H,2H2,1,3H3,(H,27,28)/b15-11+,16-4+
InChIKeyFSIMFZBARVVYCU-NELPRSFPSA-N
XLogP3.47
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4E,5E)-5-ethylidene-4-(2-pyridin-4-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
CID 145033555
1-[5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 145034172
2-[(4E,5E)-5-ethylidene-4-[2-(4-methyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole
CID 145033114
N-[5-[(E,3E)-1-amino-3-[(5Z)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-3-pyridinyl]-2-piperidin-4-ylacetamide
CID 145039043
2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridine
CID 145037665
2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole
CID 145254867
4-(5-methylthiophen-2-yl)-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136935471
2-[(4Z,5E)-5-ethylidene-4-[1-fluoro-2-(4-methyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
CID 145033531
5-[3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-ol
CID 136936978
2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-pyridin-4-yl-1H-imidazo[4,5-b]pyridine
CID 145035050
3-[4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
CID 136945744
2-[(4Z,5E)-5-ethylidene-4-[1-fluoro-2-(4-methyl-3-pyridinyl)prop-2-enylidene]-1H-pyrazol-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
CID 145037808

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-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(/C=c1/c(-c2nc3c(-c4ccc(C)s4)nccc3[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-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is FSIMFZBARVVYCU-NELPRSFPSA-N. The full InChI is InChI=1S/C23H19N7S/c1-4-16-15(11-13(2)18-12-24-9-10-25-18)20(30-29-16)23-27-17-7-8-26-22(21(17)28-23)19-6-5-14(3)31-19/h4-12,29H,2H2,1,3H3,(H,27,28)/b15-11+,16-4+.
What are the key properties of 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?
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 has a molecular weight of 425.52 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145034014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).