2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine

C26H20FN5 — CID 145246024

IUPAC2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
SMILESC=C(/C=c1/c(-c2cc3c(-c4cccc(F)c4)cncc3[nH]2)n[nH]/c1=C/C)c1ccccn1
InChIInChI=1S/C26H20FN5/c1-3-22-20(11-16(2)23-9-4-5-10-29-23)26(32-31-22)24-13-19-21(14-28-15-25(19)30-24)17-7-6-8-18(27)12-17/h3-15,30-31H,2H2,1H3/b20-11+,22-3+
InChIKeyAQVLNWMPPZIKNX-IHXRMPDRSA-N
MW421.48 g/mol
LogP4.45
Rot. Bonds4

About 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine

2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 145246024) has the molecular formula C26H20FN5 and a molecular weight of 421.48 g/mol. Its IUPAC name is 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
PubChem CID145246024
Molecular FormulaC26H20FN5
Molecular Weight421.48 g/mol
Exact Mass421.17
IUPAC Name2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
SMILESC=C(/C=c1/c(-c2cc3c(-c4cccc(F)c4)cncc3[nH]2)n[nH]/c1=C/C)c1ccccn1
InChIInChI=1S/C26H20FN5/c1-3-22-20(11-16(2)23-9-4-5-10-29-23)26(32-31-22)24-13-19-21(14-28-15-25(19)30-24)17-7-6-8-18(27)12-17/h3-15,30-31H,2H2,1H3/b20-11+,22-3+
InChIKeyAQVLNWMPPZIKNX-IHXRMPDRSA-N
XLogP4.45
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-7-(3-fluoro-5-methylphenyl)-3H-imidazo[4,5-c]pyridine
CID 145037665
2-[(4E,5E)-5-ethylidene-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)prop-2-enylidene]-1H-pyrazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridine
CID 145246079
2-[(4E,5E)-5-ethylidene-4-(2-pyrazin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole
CID 145254867
1-[6-[(3E)-3-[(5E)-5-ethylidene-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyrazin-2-yl]azetidin-3-amine
CID 145245987
2-[(4E,5E)-5-ethylidene-4-[(3E,4Z)-3-ethylidene-4-methyl-2-methylidenehepta-4,6-dienylidene]-1H-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
CID 137033338
2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-indole
CID 145254677
2-[(4E,5E)-5-ethylidene-4-(2-pyrimidin-5-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(2-fluorophenyl)-1H-pyrrolo[3,2-c]pyridine
CID 137033955
(2E,4E)-2-ethenyl-4-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylhexa-2,4-dien-1-amine
CID 145246281
2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-thiophen-3-yl-1H-indole
CID 145254994
5-[(2E,4Z)-5-ethylhepta-2,4,6-trien-3-yl]-3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 145254288
(Z)-N-ethenyl-2-[3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]but-2-en-1-imine
CID 145252729
3-[4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137116132

Frequently Asked Questions

What is the IUPAC name of 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine (CID 145246024) is 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine is C=C(/C=c1/c(-c2cc3c(-c4cccc(F)c4)cncc3[nH]2)n[nH]/c1=C/C)c1ccccn1.
What is the InChIKey of 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is AQVLNWMPPZIKNX-IHXRMPDRSA-N. The full InChI is InChI=1S/C26H20FN5/c1-3-22-20(11-16(2)23-9-4-5-10-29-23)26(32-31-22)24-13-19-21(14-28-15-25(19)30-24)17-7-6-8-18(27)12-17/h3-15,30-31H,2H2,1H3/b20-11+,22-3+.
What are the key properties of 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 421.48 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E,5E)-5-ethylidene-4-(2-pyridin-2-ylprop-2-enylidene)-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 145246024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).