2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine

C20H20N6 — CID 145254313

IUPAC2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine
SMILESC=c1c(-c2cc3ccncc3[nH]2)n[nH]/c1=C/C=C(\C)c1cnc(C)n1C
InChIInChI=1S/C20H20N6/c1-12(19-11-22-14(3)26(19)4)5-6-16-13(2)20(25-24-16)17-9-15-7-8-21-10-18(15)23-17/h5-11,23-24H,2H2,1,3-4H3/b12-5+,16-6+
InChIKeyRVXPLTKXQLACAG-CSPDOFKXSA-N
MW344.42 g/mol
LogP2.29
Rot. Bonds3

About 2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine

2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine (PubChem CID 145254313) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine
PubChem CID145254313
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine
SMILESC=c1c(-c2cc3ccncc3[nH]2)n[nH]/c1=C/C=C(\C)c1cnc(C)n1C
InChIInChI=1S/C20H20N6/c1-12(19-11-22-14(3)26(19)4)5-6-16-13(2)20(25-24-16)17-9-15-7-8-21-10-18(15)23-17/h5-11,23-24H,2H2,1,3-4H3/b12-5+,16-6+
InChIKeyRVXPLTKXQLACAG-CSPDOFKXSA-N
XLogP2.29
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methylidene-N'-[(E)-2-[3-(1H-pyrrolo[2,3-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]prop-1-enyl]methanimidamide
CID 137281325
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
3-methyl-5-[(E,4E)-4-[4-methylidene-3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-1H-pyrazol-5-ylidene]but-2-en-2-yl]pyridine
CID 145251613
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)-4-[2-(2,3-dimethylimidazol-4-yl)prop-2-enylidene]-5-ethylidene-1H-pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-c]pyridine
CID 145245985
2-[(5E)-4-methylidene-5-[(E)-3-(1,2,3,6-tetrahydropyridin-4-yl)but-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[2,3-c]pyridine
CID 145254358
2-[(5E)-5-[(2E,4E,5Z)-4-ethylidene-3,6-dimethylocta-2,5,7-trienylidene]-4-methylidene-1H-pyrazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 145251939
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
4-(3-fluorophenyl)-2-[(5E)-4-methylidene-5-[(E)-3-pyrazin-2-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-benzimidazole
CID 145249634
1-N,1-N-dimethyl-2-N-[5-[(E,4E)-4-[4-methylidene-3-(4-pyridin-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazol-5-ylidene]but-2-en-2-yl]-3-pyridinyl]prop-2-ene-1,2-diamine
CID 145250924
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
2-[(5E)-5-[(2E,4E,5Z)-4-ethylidene-3,6-dimethylocta-2,5,7-trienylidene]-4-methylidene-1H-pyrazol-3-yl]-4-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
CID 145254285

Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine (CID 145254313) is 2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine is C=c1c(-c2cc3ccncc3[nH]2)n[nH]/c1=C/C=C(\C)c1cnc(C)n1C.
What is the InChIKey of 2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is RVXPLTKXQLACAG-CSPDOFKXSA-N. The full InChI is InChI=1S/C20H20N6/c1-12(19-11-22-14(3)26(19)4)5-6-16-13(2)20(25-24-16)17-9-15-7-8-21-10-18(15)23-17/h5-11,23-24H,2H2,1,3-4H3/b12-5+,16-6+.
What are the key properties of 2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine?
2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 344.42 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-[(E)-3-(2,3-dimethylimidazol-4-yl)but-2-enylidene]-4-methylidene-1H-pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 145254313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).