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

C27H26FN5 — CID 145246079

IUPAC2-[(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
SMILESC=C(/C=c1/c(-c2cc3c(-c4cc(C)cc(F)c4)cncc3[nH]2)n[nH]/c1=C/C)C1=CCNCC1
InChIInChI=1S/C27H26FN5/c1-4-24-22(11-17(3)18-5-7-29-8-6-18)27(33-32-24)25-13-21-23(14-30-15-26(21)31-25)19-9-16(2)10-20(28)12-19/h4-5,9-15,29,31-32H,3,6-8H2,1-2H3/b22-11+,24-4+
InChIKeyCCWUGLXNKWSTCJ-ZVLDJUIRSA-N
MW439.54 g/mol
LogP4.12
Rot. Bonds4

About 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

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 (PubChem CID 145246079) has the molecular formula C27H26FN5 and a molecular weight of 439.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID145246079
Molecular FormulaC27H26FN5
Molecular Weight439.54 g/mol
Exact Mass439.22
IUPAC Name2-[(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
SMILESC=C(/C=c1/c(-c2cc3c(-c4cc(C)cc(F)c4)cncc3[nH]2)n[nH]/c1=C/C)C1=CCNCC1
InChIInChI=1S/C27H26FN5/c1-4-24-22(11-17(3)18-5-7-29-8-6-18)27(33-32-24)25-13-21-23(14-30-15-26(21)31-25)19-9-16(2)10-20(28)12-19/h4-5,9-15,29,31-32H,3,6-8H2,1-2H3/b22-11+,24-4+
InChIKeyCCWUGLXNKWSTCJ-ZVLDJUIRSA-N
XLogP4.12
TPSA69.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.12
H-Bond Donors ≤ 53
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]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
CID 145246024
4-(3-fluorophenyl)-2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine
CID 145254468
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-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridine
CID 145247581
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-[5-(piperidin-1-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-indole
CID 145254677
N-but-1-en-2-yl-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145247716
5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 161497392
5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]-N,N-dimethylpyridin-3-amine
CID 145246196
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
3-[4-(3-fluoro-5-methylphenyl)-1H-indol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indazole
CID 137308443
5-[3-[4-(3-fluoro-5-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine
CID 137308518

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(/C=c1/c(-c2cc3c(-c4cc(C)cc(F)c4)cncc3[nH]2)n[nH]/c1=C/C)C1=CCNCC1.
What is the InChIKey of 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?
The InChIKey is CCWUGLXNKWSTCJ-ZVLDJUIRSA-N. The full InChI is InChI=1S/C27H26FN5/c1-4-24-22(11-17(3)18-5-7-29-8-6-18)27(33-32-24)25-13-21-23(14-30-15-26(21)31-25)19-9-16(2)10-20(28)12-19/h4-5,9-15,29,31-32H,3,6-8H2,1-2H3/b22-11+,24-4+.
What are the key properties of 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?
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 has a molecular weight of 439.54 g/mol, XLogP of 4.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145246079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).