3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine

C13H14N4 — CID 141200880

IUPAC3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=N/C(=C\c2c[nH]c3ncccc23)CN1C
InChIInChI=1S/C13H14N4/c1-9-16-11(8-17(9)2)6-10-7-15-13-12(10)4-3-5-14-13/h3-7H,8H2,1-2H3,(H,14,15)/b11-6-
InChIKeyGYKBNCSMMIKFFC-WDZFZDKYSA-N
MW226.28 g/mol
LogP2.27
Rot. Bonds1

About 3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine

3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 141200880) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID141200880
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC1=N/C(=C\c2c[nH]c3ncccc23)CN1C
InChIInChI=1S/C13H14N4/c1-9-16-11(8-17(9)2)6-10-7-15-13-12(10)4-3-5-14-13/h3-7H,8H2,1-2H3,(H,14,15)/b11-6-
InChIKeyGYKBNCSMMIKFFC-WDZFZDKYSA-N
XLogP2.27
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

(5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one
CID 123774125
ethyl (E)-2-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enoate
CID 104503426
3-(1-methyl-2,5-dihydropyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 58349740
3-fluoro-1H-pyrrolo[2,3-b]pyridine
CID 20784528
3-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine
CID 101366417
3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 53392945
1-(4-methylpiperazin-1-yl)-2-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-en-1-one
CID 69375076
3-[2-(bromomethyl)-3-methylbut-1-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 79323810
(2E)-6-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-4,9-dihydro-3H-carbazol-1-one
CID 170179957
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-benzoxazin-3-one
CID 142655644
3-[(3S)-1,3-dimethyl-3,6-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridine
CID 170328773

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 141200880) is 3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine is CC1=N/C(=C\c2c[nH]c3ncccc23)CN1C.
What is the InChIKey of 3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is GYKBNCSMMIKFFC-WDZFZDKYSA-N. The full InChI is InChI=1S/C13H14N4/c1-9-16-11(8-17(9)2)6-10-7-15-13-12(10)4-3-5-14-13/h3-7H,8H2,1-2H3,(H,14,15)/b11-6-.
What are the key properties of 3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 226.28 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-(2,3-dimethyl-4H-imidazol-5-ylidene)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 141200880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).