4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen

C17H16N4 — CID 143489084

IUPAC4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
SMILESC1=CC2CC2C(c2cn(-c3ccnc4[nH]ccc34)cn2)=C1.[H][H]
InChIInChI=1S/C17H14N4.H2/c1-2-11-8-14(11)12(3-1)15-9-21(10-20-15)16-5-7-19-17-13(16)4-6-18-17;/h1-7,9-11,14H,8H2,(H,18,19);1H
InChIKeyWOYCHWZLYSFNNM-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.58
Rot. Bonds2

About 4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen

4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen (PubChem CID 143489084) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen.

Molecular Properties

Compound Name4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
PubChem CID143489084
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen
SMILESC1=CC2CC2C(c2cn(-c3ccnc4[nH]ccc34)cn2)=C1.[H][H]
InChIInChI=1S/C17H14N4.H2/c1-2-11-8-14(11)12(3-1)15-9-21(10-20-15)16-5-7-19-17-13(16)4-6-18-17;/h1-7,9-11,14H,8H2,(H,18,19);1H
InChIKeyWOYCHWZLYSFNNM-UHFFFAOYSA-N
XLogP3.58
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridine
CID 118078364
4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44625835
4-[3-methyl-4-(4-methylphenyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 118056000
[(2R)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrrolidin-2-yl]methanol
CID 175782254
4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166375892
4-[4-[(Z)-but-2-enyl]-3-methylpyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 163546813
4-[3-methyl-4-(pyrimidin-5-ylmethyl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 143489102
cyclohexyl-[1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 68905075
4-(6-methyl-2-propylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 70774610
4-[3-[3-(trifluoromethyl)phenyl]-4,5-didehydropyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine
CID 162615860
4-(2-phenylethyl)-1H-pyrrolo[2,3-b]pyridine
CID 19916805
3-[3-methyl-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-4-yl]propanenitrile;2,2,2-trifluoroacetic acid
CID 175719041

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen?
The IUPAC name of 4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen (CID 143489084) is 4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen.
What is the SMILES notation for 4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen?
The canonical SMILES for 4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen is C1=CC2CC2C(c2cn(-c3ccnc4[nH]ccc34)cn2)=C1.[H][H].
What is the InChIKey of 4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen?
The InChIKey is WOYCHWZLYSFNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4.H2/c1-2-11-8-14(11)12(3-1)15-9-21(10-20-15)16-5-7-19-17-13(16)4-6-18-17;/h1-7,9-11,14H,8H2,(H,18,19);1H.
What are the key properties of 4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen?
4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen has a molecular weight of 276.34 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)imidazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;molecular hydrogen is sourced from PubChem (CID 143489084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).