1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine

C15H12N4 — CID 12037445

IUPAC1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)ccn2Cn1cccc2ccnc1-2
InChIInChI=1S/C15H12N4/c1-3-13-6-10-19(15(13)16-7-1)11-18-9-2-4-12-5-8-17-14(12)18/h1-10H,11H2
InChIKeyZKGNLYTYXZOHCP-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.84
Rot. Bonds2

About 1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine

1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine (PubChem CID 12037445) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine
PubChem CID12037445
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)ccn2Cn1cccc2ccnc1-2
InChIInChI=1S/C15H12N4/c1-3-13-6-10-19(15(13)16-7-1)11-18-9-2-4-12-5-8-17-14(12)18/h1-10H,11H2
InChIKeyZKGNLYTYXZOHCP-UHFFFAOYSA-N
XLogP2.84
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Glu-P 1
CID 49971
1H-Pyrrolo(2,3-b)pyridine
CID 9222
Rolodine
CID 5359646
1,8-Naphthyridine
CID 136069
6-[3-(2,2-Difluoroethyl)-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
CID 135233366
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
2-Phenylimidazo(1,2-a)pyridine
CID 201136
1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane
CID 327606
Cgp-62464
CID 354471
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340
Imidazopyridine 10b
CID 5329341
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine (CID 12037445) is 1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine is c1cnc2c(c1)ccn2Cn1cccc2ccnc1-2.
What is the InChIKey of 1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine?
The InChIKey is ZKGNLYTYXZOHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-3-13-6-10-19(15(13)16-7-1)11-18-9-2-4-12-5-8-17-14(12)18/h1-10H,11H2.
What are the key properties of 1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine?
1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine has a molecular weight of 248.29 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolo[2,3-b]pyridin-7-ylmethyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 12037445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).