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

C14H10N4 — CID 123600339

IUPAC3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(-c3cnc4[nH]ccc4c3)c2c1
InChIInChI=1S/C14H10N4/c1-2-11-12(8-18-14(11)15-4-1)10-6-9-3-5-16-13(9)17-7-10/h1-8H,(H,15,18)(H,16,17)
InChIKeyZTZZOEXKEPRUHO-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.11
Rot. Bonds1

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

3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 123600339) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID123600339
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cnc2[nH]cc(-c3cnc4[nH]ccc4c3)c2c1
InChIInChI=1S/C14H10N4/c1-2-11-12(8-18-14(11)15-4-1)10-6-9-3-5-16-13(9)17-7-10/h1-8H,(H,15,18)(H,16,17)
InChIKeyZTZZOEXKEPRUHO-UHFFFAOYSA-N
XLogP3.11
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-3-amine
CID 166338323
3-pyridazin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 175782285
2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine
CID 134350502
5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 141408563
[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3-pyridinyl]methanesulfonamide
CID 175782488
5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 140781014
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
CID 82388447
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydrobenzimidazol-2-one
CID 146146742
3-[4-[bis(1H-pyrrol-2-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 139197585
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-oxadiazole
CID 163936836
6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinoxaline
CID 141301480
5-methyl-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 170012021

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine (CID 123600339) is 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine is c1cnc2[nH]cc(-c3cnc4[nH]ccc4c3)c2c1.
What is the InChIKey of 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZTZZOEXKEPRUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-2-11-12(8-18-14(11)15-4-1)10-6-9-3-5-16-13(9)17-7-10/h1-8H,(H,15,18)(H,16,17).
What are the key properties of 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine?
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 234.26 g/mol, XLogP of 3.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 123600339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).