5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

C16H10N4 — CID 25012303

IUPAC5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2ncc(-c3cccc4[nH]ccc34)cc12
InChIInChI=1S/C16H10N4/c17-7-11-9-20-16-14(11)6-10(8-19-16)12-2-1-3-15-13(12)4-5-18-15/h1-6,8-9,18H,(H,19,20)
InChIKeyBROZGZHBIKYLKV-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.58
Rot. Bonds1

About 5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile

5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (PubChem CID 25012303) has the molecular formula C16H10N4 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
PubChem CID25012303
Molecular FormulaC16H10N4
Molecular Weight258.28 g/mol
Exact Mass258.09
IUPAC Name5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2ncc(-c3cccc4[nH]ccc34)cc12
InChIInChI=1S/C16H10N4/c17-7-11-9-20-16-14(11)6-10(8-19-16)12-2-1-3-15-13(12)4-5-18-15/h1-6,8-9,18H,(H,19,20)
InChIKeyBROZGZHBIKYLKV-UHFFFAOYSA-N
XLogP3.58
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-(1H-indol-4-yl)benzonitrile
CID 22561837
4-(1H-indol-4-ylamino)-2-iodothieno[2,3-b]pyridine-5-carbonitrile;hydrochloride
CID 69251164
3-ethynyl-5-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 88956542
7-(1H-indol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 66936733
3-fluoro-2-(1H-indol-4-yl)benzonitrile
CID 150927923
1H-pyrrolo[2,3-c]pyridine-3,5-dicarbonitrile
CID 68804667
[2,6-difluoro-3-[(3-fluorophenyl)methylamino]phenyl]-[5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 123888749
3-(1H-indol-4-yl)-5-(2-methoxypyridine-4-carbonyl)benzonitrile
CID 69193797
4-(1H-indol-4-ylmethylamino)-2-phenylthieno[2,3-b]pyridine-5-carbonitrile
CID 69473608
[4-[3-[5-cyano-4-(1H-indol-4-ylamino)-3-pyridinyl]phenyl]phenyl] hydrogen carbonate
CID 118510475
[3-(1H-indol-4-yl)phenyl]phosphane
CID 142467454
2-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzonitrile
CID 58896795

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile (CID 25012303) is 5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is N#Cc1c[nH]c2ncc(-c3cccc4[nH]ccc34)cc12.
What is the InChIKey of 5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
The InChIKey is BROZGZHBIKYLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4/c17-7-11-9-20-16-14(11)6-10(8-19-16)12-2-1-3-15-13(12)4-5-18-15/h1-6,8-9,18H,(H,19,20).
What are the key properties of 5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile?
5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile has a molecular weight of 258.28 g/mol, XLogP of 3.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-4-yl)-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 25012303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).