7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile

C16H11N5O — CID 22162187

IUPAC7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
SMILESCC1(C#N)C(=O)Nc2cc3nc(-c4cccnc4)[nH]c3cc21
InChIInChI=1S/C16H11N5O/c1-16(8-17)10-5-12-13(6-11(10)21-15(16)22)20-14(19-12)9-3-2-4-18-7-9/h2-7H,1H3,(H,19,20)(H,21,22)
InChIKeyQDLQPDFTNQHWIB-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.36
Rot. Bonds1

About 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile

7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile (PubChem CID 22162187) has the molecular formula C16H11N5O and a molecular weight of 289.30 g/mol. Its IUPAC name is 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile.

Molecular Properties

Compound Name7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
PubChem CID22162187
Molecular FormulaC16H11N5O
Molecular Weight289.30 g/mol
Exact Mass289.10
IUPAC Name7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
SMILESCC1(C#N)C(=O)Nc2cc3nc(-c4cccnc4)[nH]c3cc21
InChIInChI=1S/C16H11N5O/c1-16(8-17)10-5-12-13(6-11(10)21-15(16)22)20-14(19-12)9-3-2-4-18-7-9/h2-7H,1H3,(H,19,20)(H,21,22)
InChIKeyQDLQPDFTNQHWIB-UHFFFAOYSA-N
XLogP2.36
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile?
The IUPAC name of 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile (CID 22162187) is 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile.
What is the SMILES notation for 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile?
The canonical SMILES for 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile is CC1(C#N)C(=O)Nc2cc3nc(-c4cccnc4)[nH]c3cc21.
What is the InChIKey of 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile?
The InChIKey is QDLQPDFTNQHWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5O/c1-16(8-17)10-5-12-13(6-11(10)21-15(16)22)20-14(19-12)9-3-2-4-18-7-9/h2-7H,1H3,(H,19,20)(H,21,22).
What are the key properties of 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile?
7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile has a molecular weight of 289.30 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile is sourced from PubChem (CID 22162187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).