3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile

C19H12N4 — CID 166634233

IUPAC3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2c[nH]c3ncc(-c4ccncc4)cc23)c1
InChIInChI=1S/C19H12N4/c20-10-13-2-1-3-15(8-13)18-12-23-19-17(18)9-16(11-22-19)14-4-6-21-7-5-14/h1-9,11-12H,(H,22,23)
InChIKeyPIPQTNNIKGLSFV-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.16
Rot. Bonds2

About 3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile

3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile (PubChem CID 166634233) has the molecular formula C19H12N4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile
PubChem CID166634233
Molecular FormulaC19H12N4
Molecular Weight296.33 g/mol
Exact Mass296.11
IUPAC Name3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile
SMILESN#Cc1cccc(-c2c[nH]c3ncc(-c4ccncc4)cc23)c1
InChIInChI=1S/C19H12N4/c20-10-13-2-1-3-15(8-13)18-12-23-19-17(18)9-16(11-22-19)14-4-6-21-7-5-14/h1-9,11-12H,(H,22,23)
InChIKeyPIPQTNNIKGLSFV-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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Related Compounds

1H-Pyrrolo(2,3-b)pyridine
CID 9222
Rolodine
CID 5359646
5-(1H-pyrrolo(2,3-b)pyridin-3-ylmethyl)-N-((4-(trifluoromethyl)phenyl)methyl)pyridin-2-amine
CID 11545419
PF-06447475
CID 72706840
3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridine
CID 6603897
3-(4-(Piperidin-1-ylmethyl)phenyl)-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile
CID 44545757
6-Chloro-N-Cyclohexyl-4-(1h-Pyrrolo[2,3-B]pyridin-3-Yl)pyridin-2-Amine
CID 49843482
4-(3-Methylphenyl)-6-[(1-Methylpyrazol-3-Yl)amino]-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86275848
6-Azanyl-4-(3-Methylphenyl)-1~{h}-Pyrrolo[2,3-B]pyridine-3-Carbonitrile
CID 86287744
5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135283800
1-(4-(4-chlorophenyl)-1-(7H-pyrrolo(2,3-d)pyrimidin-4-yl)piperidin-4-yl)methanamine
CID 24762195
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 10537176

Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile?
The IUPAC name of 3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile (CID 166634233) is 3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile.
What is the SMILES notation for 3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile?
The canonical SMILES for 3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile is N#Cc1cccc(-c2c[nH]c3ncc(-c4ccncc4)cc23)c1.
What is the InChIKey of 3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile?
The InChIKey is PIPQTNNIKGLSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N4/c20-10-13-2-1-3-15(8-13)18-12-23-19-17(18)9-16(11-22-19)14-4-6-21-7-5-14/h1-9,11-12H,(H,22,23).
What are the key properties of 3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile?
3-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile 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-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzonitrile is sourced from PubChem (CID 166634233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).