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

C26H22N6S — CID 145033555

IUPAC2-[(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
SMILESC=C(/C=c1/c(-c2nc3c(-c4ccc(C(=C)C)s4)nccc3[nH]2)n[nH]/c1=C/C)c1ccncc1
InChIInChI=1S/C26H22N6S/c1-5-19-18(14-16(4)17-8-11-27-12-9-17)23(32-31-19)26-29-20-10-13-28-25(24(20)30-26)22-7-6-21(33-22)15(2)3/h5-14,31H,2,4H2,1,3H3,(H,29,30)/b18-14+,19-5+
InChIKeyWNUIKICNAMWSKR-WUWFYSNQSA-N
MW450.57 g/mol
LogP4.80
Rot. Bonds5

About 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

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 (PubChem CID 145033555) has the molecular formula C26H22N6S and a molecular weight of 450.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID145033555
Molecular FormulaC26H22N6S
Molecular Weight450.57 g/mol
Exact Mass450.16
IUPAC Name2-[(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
SMILESC=C(/C=c1/c(-c2nc3c(-c4ccc(C(=C)C)s4)nccc3[nH]2)n[nH]/c1=C/C)c1ccncc1
InChIInChI=1S/C26H22N6S/c1-5-19-18(14-16(4)17-8-11-27-12-9-17)23(32-31-19)26-29-20-10-13-28-25(24(20)30-26)22-7-6-21(33-22)15(2)3/h5-14,31H,2,4H2,1,3H3,(H,29,30)/b18-14+,19-5+
InChIKeyWNUIKICNAMWSKR-WUWFYSNQSA-N
XLogP4.80
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.57
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
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-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
CID 145034360
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
(Z)-N-ethenyl-2-[7-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]but-2-en-1-imine
CID 145034709
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
(2E,4E)-N-benzyl-2-ethenyl-4-[3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]hexa-2,4-dien-1-amine
CID 145244848
N-(1-cyclohexylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(3-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145034112
5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine
CID 145033979
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
(3E,5E)-N-(1-cyclopropylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]hepta-1,3,5-trien-3-amine
CID 145033593
N-but-1-en-2-yl-5-[6-fluoro-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]pyridin-3-amine
CID 145034544

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(/C=c1/c(-c2nc3c(-c4ccc(C(=C)C)s4)nccc3[nH]2)n[nH]/c1=C/C)c1ccncc1.
What is the InChIKey of 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?
The InChIKey is WNUIKICNAMWSKR-WUWFYSNQSA-N. The full InChI is InChI=1S/C26H22N6S/c1-5-19-18(14-16(4)17-8-11-27-12-9-17)23(32-31-19)26-29-20-10-13-28-25(24(20)30-26)22-7-6-21(33-22)15(2)3/h5-14,31H,2,4H2,1,3H3,(H,29,30)/b18-14+,19-5+.
What are the key properties of 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?
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 has a molecular weight of 450.57 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145033555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).