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

C25H20FN7 — CID 145033531

IUPAC2-[(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
SMILESC=C(/C(F)=c1/c(-c2nc3c(-c4ccncc4)nccc3[nH]2)n[nH]/c1=C/C)c1cnccc1C
InChIInChI=1S/C25H20FN7/c1-4-18-20(21(26)15(3)17-13-28-9-5-14(17)2)24(33-32-18)25-30-19-8-12-29-22(23(19)31-25)16-6-10-27-11-7-16/h4-13,32H,3H2,1-2H3,(H,30,31)/b18-4+,21-20-
InChIKeyYFRMACXJTDRTHU-NBMVHPHSSA-N
MW437.48 g/mol
LogP3.70
Rot. Bonds4

About 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

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 (PubChem CID 145033531) has the molecular formula C25H20FN7 and a molecular weight of 437.48 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]-4-pyridin-4-yl-1H-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]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
PubChem CID145033531
Molecular FormulaC25H20FN7
Molecular Weight437.48 g/mol
Exact Mass437.18
IUPAC Name2-[(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
SMILESC=C(/C(F)=c1/c(-c2nc3c(-c4ccncc4)nccc3[nH]2)n[nH]/c1=C/C)c1cnccc1C
InChIInChI=1S/C25H20FN7/c1-4-18-20(21(26)15(3)17-13-28-9-5-14(17)2)24(33-32-18)25-30-19-8-12-29-22(23(19)31-25)16-6-10-27-11-7-16/h4-13,32H,3H2,1-2H3,(H,30,31)/b18-4+,21-20-
InChIKeyYFRMACXJTDRTHU-NBMVHPHSSA-N
XLogP3.70
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.70
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]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine
CID 145037808
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
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
2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
CID 145033515
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
5-[(3Z)-3-[(5E)-5-ethylidene-3-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]-N-(3-methylbut-1-en-2-yl)pyridin-3-amine
CID 145035246
4-(3-fluoro-5-methylphenyl)-2-[(5E)-4-methylidene-5-[(E)-3-pyridin-4-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 145245170
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
2-(6-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
CID 136936034
N-[[5-[(E,4E)-4-[(4Z)-4-ethylidene-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145244782
N-(3,3-dimethylbut-1-en-2-yl)-5-[(3Z)-3-[(5E)-5-ethylidene-3-[5-methyl-4-[(1Z)-1-pyridin-4-ylbuta-1,3-dienyl]-1H-imidazol-2-yl]-1H-pyrazol-4-ylidene]-3-fluoroprop-1-en-2-yl]pyridin-3-amine
CID 145033238
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

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]-4-pyridin-4-yl-1H-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]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine (CID 145033531) is 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.
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]-4-pyridin-4-yl-1H-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]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine is C=C(/C(F)=c1/c(-c2nc3c(-c4ccncc4)nccc3[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]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine?
The InChIKey is YFRMACXJTDRTHU-NBMVHPHSSA-N. The full InChI is InChI=1S/C25H20FN7/c1-4-18-20(21(26)15(3)17-13-28-9-5-14(17)2)24(33-32-18)25-30-19-8-12-29-22(23(19)31-25)16-6-10-27-11-7-16/h4-13,32H,3H2,1-2H3,(H,30,31)/b18-4+,21-20-.
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]-4-pyridin-4-yl-1H-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]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 437.48 g/mol, XLogP of 3.70, 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]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 145033531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).