4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile

C14H11N5O — CID 2325122

IUPAC4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)CC(=O)N2c1ccccc1
InChIInChI=1S/C14H11N5O/c15-7-10-12(16)9-6-11(20)19(14(9)18-13(10)17)8-4-2-1-3-5-8/h1-5H,6H2,(H4,16,17,18)
InChIKeyHOVPHPWNBCZIGP-UHFFFAOYSA-N
MW265.28 g/mol
LogP1.34
Rot. Bonds1

About 4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile

4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 2325122) has the molecular formula C14H11N5O and a molecular weight of 265.28 g/mol. Its IUPAC name is 4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID2325122
Molecular FormulaC14H11N5O
Molecular Weight265.28 g/mol
Exact Mass265.10
IUPAC Name4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)CC(=O)N2c1ccccc1
InChIInChI=1S/C14H11N5O/c15-7-10-12(16)9-6-11(20)19(14(9)18-13(10)17)8-4-2-1-3-5-8/h1-5H,6H2,(H4,16,17,18)
InChIKeyHOVPHPWNBCZIGP-UHFFFAOYSA-N
XLogP1.34
TPSA109.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 2325122) is 4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile is N#Cc1c(N)nc2c(c1N)CC(=O)N2c1ccccc1.
What is the InChIKey of 4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is HOVPHPWNBCZIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O/c15-7-10-12(16)9-6-11(20)19(14(9)18-13(10)17)8-4-2-1-3-5-8/h1-5H,6H2,(H4,16,17,18).
What are the key properties of 4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 265.28 g/mol, XLogP of 1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-2-oxo-1-phenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 2325122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).