4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile

C20H14N4O2 — CID 13438064

IUPAC4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)c2c(n(-c3ccccc3)c1=O)N(c1ccccc1)C(=O)C2
InChIInChI=1S/C20H14N4O2/c21-12-16-18(22)15-11-17(25)23(13-7-3-1-4-8-13)19(15)24(20(16)26)14-9-5-2-6-10-14/h1-10H,11,22H2
InChIKeySIPYUQHHOVJMQW-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.51
Rot. Bonds2

About 4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile

4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile (PubChem CID 13438064) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
PubChem CID13438064
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile
SMILESN#Cc1c(N)c2c(n(-c3ccccc3)c1=O)N(c1ccccc1)C(=O)C2
InChIInChI=1S/C20H14N4O2/c21-12-16-18(22)15-11-17(25)23(13-7-3-1-4-8-13)19(15)24(20(16)26)14-9-5-2-6-10-14/h1-10H,11,22H2
InChIKeySIPYUQHHOVJMQW-UHFFFAOYSA-N
XLogP2.51
TPSA92.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The IUPAC name of 4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile (CID 13438064) is 4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile is N#Cc1c(N)c2c(n(-c3ccccc3)c1=O)N(c1ccccc1)C(=O)C2.
What is the InChIKey of 4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
The InChIKey is SIPYUQHHOVJMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c21-12-16-18(22)15-11-17(25)23(13-7-3-1-4-8-13)19(15)24(20(16)26)14-9-5-2-6-10-14/h1-10H,11,22H2.
What are the key properties of 4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile?
4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile has a molecular weight of 342.36 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dioxo-1,7-diphenyl-3H-pyrrolo[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 13438064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).