3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

C19H12N4 — CID 44573169

IUPAC3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3ccncc3)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H12N4/c20-12-15-6-7-16-19(22-15)17(13-4-2-1-3-5-13)18(23-16)14-8-10-21-11-9-14/h1-11,23H
InChIKeyVTLMUGWFUKHYEK-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.16
Rot. Bonds2

About 3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile

3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (PubChem CID 44573169) has the molecular formula C19H12N4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
PubChem CID44573169
Molecular FormulaC19H12N4
Molecular Weight296.33 g/mol
Exact Mass296.11
IUPAC Name3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
SMILESN#Cc1ccc2[nH]c(-c3ccncc3)c(-c3ccccc3)c2n1
InChIInChI=1S/C19H12N4/c20-12-15-6-7-16-19(22-15)17(13-4-2-1-3-5-13)18(23-16)14-8-10-21-11-9-14/h1-11,23H
InChIKeyVTLMUGWFUKHYEK-UHFFFAOYSA-N
XLogP4.16
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The IUPAC name of 3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile (CID 44573169) is 3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile.
What is the SMILES notation for 3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The canonical SMILES for 3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is N#Cc1ccc2[nH]c(-c3ccncc3)c(-c3ccccc3)c2n1.
What is the InChIKey of 3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
The InChIKey is VTLMUGWFUKHYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4/c20-12-15-6-7-16-19(22-15)17(13-4-2-1-3-5-13)18(23-16)14-8-10-21-11-9-14/h1-11,23H.
What are the key properties of 3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile?
3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile is sourced from PubChem (CID 44573169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).