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

C25H21FN6S — CID 145037808

IUPAC2-[(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
SMILESC=C(/C(F)=c1/c(-c2nc3c(-c4ccc(C)s4)cncc3[nH]2)n[nH]/c1=C/C)c1cnccc1C
InChIInChI=1S/C25H21FN6S/c1-5-18-21(22(26)15(4)16-10-27-9-8-13(16)2)24(32-31-18)25-29-19-12-28-11-17(23(19)30-25)20-7-6-14(3)33-20/h5-12,31H,4H2,1-3H3,(H,29,30)/b18-5+,22-21-
InChIKeyGHMJXZSQZMUEDC-RIKXCMQSSA-N
MW456.55 g/mol
LogP4.68
Rot. Bonds4

About 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

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 (PubChem CID 145037808) has the molecular formula C25H21FN6S and a molecular weight of 456.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID145037808
Molecular FormulaC25H21FN6S
Molecular Weight456.55 g/mol
Exact Mass456.15
IUPAC Name2-[(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
SMILESC=C(/C(F)=c1/c(-c2nc3c(-c4ccc(C)s4)cncc3[nH]2)n[nH]/c1=C/C)c1cnccc1C
InChIInChI=1S/C25H21FN6S/c1-5-18-21(22(26)15(4)16-10-27-9-8-13(16)2)24(32-31-18)25-29-19-12-28-11-17(23(19)30-25)20-7-6-14(3)33-20/h5-12,31H,4H2,1-3H3,(H,29,30)/b18-5+,22-21-
InChIKeyGHMJXZSQZMUEDC-RIKXCMQSSA-N
XLogP4.68
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole
CID 145033031
N-but-1-en-2-yl-5-[(3Z)-3-[(5E)-5-ethylidene-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine
CID 145033375
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-(4,4-dimethylpent-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine
CID 145033443
5-[3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137143000
7-(5-methylthiophen-2-yl)-2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 136600735
1-[5-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 136946696
5-[(3Z)-3-[(5E)-3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-5-ethylidene-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-pent-1-en-2-ylpyridin-3-amine
CID 145037748
1-[5-[2-[5-(4-methyl-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]butan-1-one
CID 166866231
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
N,N-dimethyl-3-[6-methyl-3-[7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]aniline
CID 145037822

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(/C(F)=c1/c(-c2nc3c(-c4ccc(C)s4)cncc3[nH]2)n[nH]/c1=C/C)c1cnccc1C.
What is the InChIKey of 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?
The InChIKey is GHMJXZSQZMUEDC-RIKXCMQSSA-N. The full InChI is InChI=1S/C25H21FN6S/c1-5-18-21(22(26)15(4)16-10-27-9-8-13(16)2)24(32-31-18)25-29-19-12-28-11-17(23(19)30-25)20-7-6-14(3)33-20/h5-12,31H,4H2,1-3H3,(H,29,30)/b18-5+,22-21-.
What are the key properties of 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?
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 has a molecular weight of 456.55 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145037808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).