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

C26H21FN6 — CID 145245170

IUPAC4-(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
SMILESC=c1c(-c2nc3c(-c4cc(C)cc(F)c4)nccc3[nH]2)n[nH]/c1=C/C=C(\C)c1ccncc1
InChIInChI=1S/C26H21FN6/c1-15-12-19(14-20(27)13-15)24-25-22(8-11-29-24)30-26(31-25)23-17(3)21(32-33-23)5-4-16(2)18-6-9-28-10-7-18/h4-14,32H,3H2,1-2H3,(H,30,31)/b16-4+,21-5+
InChIKeyGROCUKKUGJIUPU-XDXATUACSA-N
MW436.49 g/mol
LogP4.15
Rot. Bonds4

About 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

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 (PubChem CID 145245170) has the molecular formula C26H21FN6 and a molecular weight of 436.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID145245170
Molecular FormulaC26H21FN6
Molecular Weight436.49 g/mol
Exact Mass436.18
IUPAC Name4-(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
SMILESC=c1c(-c2nc3c(-c4cc(C)cc(F)c4)nccc3[nH]2)n[nH]/c1=C/C=C(\C)c1ccncc1
InChIInChI=1S/C26H21FN6/c1-15-12-19(14-20(27)13-15)24-25-22(8-11-29-24)30-26(31-25)23-17(3)21(32-33-23)5-4-16(2)18-6-9-28-10-7-18/h4-14,32H,3H2,1-2H3,(H,30,31)/b16-4+,21-5+
InChIKeyGROCUKKUGJIUPU-XDXATUACSA-N
XLogP4.15
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenyl)-2-[(5E)-4-methylidene-5-[(E)-3-pyrazin-2-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-benzimidazole
CID 145249634
2-[(5E)-4-methylidene-5-[(E)-3-(5-methyl-3-pyridinyl)but-2-enylidene]-1H-pyrazol-3-yl]-7-pyridin-3-yl-3H-imidazo[4,5-c]pyridine
CID 145248838
4-(3-fluoro-5-methylphenyl)-2-(5-pyrazin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine
CID 136937206
2-[(5E)-4-methylidene-5-[(E)-3-(1-methylpyrazol-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-imidazo[4,5-c]pyridine
CID 145244894
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-[[5-[(E,4E)-4-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-4-methylidene-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145253420
1-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]phenyl]-N-[methyl(dimethylidene)-λ6-sulfanyl]methanamine
CID 145245059
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
3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridine
CID 136945916
N-[[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 136944667
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
N-[5-[3-[4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 136937164

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=c1c(-c2nc3c(-c4cc(C)cc(F)c4)nccc3[nH]2)n[nH]/c1=C/C=C(\C)c1ccncc1.
What is the InChIKey of 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?
The InChIKey is GROCUKKUGJIUPU-XDXATUACSA-N. The full InChI is InChI=1S/C26H21FN6/c1-15-12-19(14-20(27)13-15)24-25-22(8-11-29-24)30-26(31-25)23-17(3)21(32-33-23)5-4-16(2)18-6-9-28-10-7-18/h4-14,32H,3H2,1-2H3,(H,30,31)/b16-4+,21-5+.
What are the key properties of 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?
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 has a molecular weight of 436.49 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145245170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).