2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole

C24H18FN7 — CID 145033031

IUPAC2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole
SMILESC=C(/C(F)=c1/c(-c2nc3c(-c4ccncc4)cccc3[nH]2)n[nH]/c1=C/C)c1cncnc1
InChIInChI=1S/C24H18FN7/c1-3-18-20(21(25)14(2)16-11-27-13-28-12-16)23(32-31-18)24-29-19-6-4-5-17(22(19)30-24)15-7-9-26-10-8-15/h3-13,31H,2H2,1H3,(H,29,30)/b18-3+,21-20-
InChIKeyRRGMYRQKFZAQQF-ZGNPQVMGSA-N
MW423.46 g/mol
LogP3.40
Rot. Bonds4

About 2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole

2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole (PubChem CID 145033031) has the molecular formula C24H18FN7 and a molecular weight of 423.46 g/mol. Its IUPAC name is 2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole
PubChem CID145033031
Molecular FormulaC24H18FN7
Molecular Weight423.46 g/mol
Exact Mass423.16
IUPAC Name2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole
SMILESC=C(/C(F)=c1/c(-c2nc3c(-c4ccncc4)cccc3[nH]2)n[nH]/c1=C/C)c1cncnc1
InChIInChI=1S/C24H18FN7/c1-3-18-20(21(25)14(2)16-11-27-13-28-12-16)23(32-31-18)24-29-19-6-4-5-17(22(19)30-24)15-7-9-26-10-8-15/h3-13,31H,2H2,1H3,(H,29,30)/b18-3+,21-20-
InChIKeyRRGMYRQKFZAQQF-ZGNPQVMGSA-N
XLogP3.40
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 53.40
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-[(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-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
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-[(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
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
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
4-(3-fluorophenyl)-2-[(5E)-4-methylidene-5-[(E)-3-pyrazin-2-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-benzimidazole
CID 145249634
2-[(4E,5E)-5-ethylidene-4-[(3E,4E)-3-ethylidene-2-methylidene-5-(pyrrolidin-1-ylmethyl)hepta-4,6-dienylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-benzimidazole
CID 145033240
5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136942954
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-(1-cyclohexylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145033208

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole?
The IUPAC name of 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) is 2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole.
What is the SMILES notation for 2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole?
The canonical SMILES for 2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole is C=C(/C(F)=c1/c(-c2nc3c(-c4ccncc4)cccc3[nH]2)n[nH]/c1=C/C)c1cncnc1.
What is the InChIKey of 2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole?
The InChIKey is RRGMYRQKFZAQQF-ZGNPQVMGSA-N. The full InChI is InChI=1S/C24H18FN7/c1-3-18-20(21(25)14(2)16-11-27-13-28-12-16)23(32-31-18)24-29-19-6-4-5-17(22(19)30-24)15-7-9-26-10-8-15/h3-13,31H,2H2,1H3,(H,29,30)/b18-3+,21-20-.
What are the key properties of 2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole?
2-[(4Z,5E)-5-ethylidene-4-(1-fluoro-2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole has a molecular weight of 423.46 g/mol, XLogP of 3.40, 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-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-benzimidazole is sourced from PubChem (CID 145033031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).