5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine

C14H11N5 — CID 56913251

IUPAC5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine
SMILESCn1ccc2c(-c3ccc4[nH]cnc4n3)ccnc21
InChIInChI=1S/C14H11N5/c1-19-7-5-10-9(4-6-15-14(10)19)11-2-3-12-13(18-11)17-8-16-12/h2-8H,1H3,(H,16,17,18)
InChIKeyIKAWCKQMYJDHRB-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.51
Rot. Bonds1

About 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine

5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 56913251) has the molecular formula C14H11N5 and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID56913251
Molecular FormulaC14H11N5
Molecular Weight249.28 g/mol
Exact Mass249.10
IUPAC Name5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine
SMILESCn1ccc2c(-c3ccc4[nH]cnc4n3)ccnc21
InChIInChI=1S/C14H11N5/c1-19-7-5-10-9(4-6-15-14(10)19)11-2-3-12-13(18-11)17-8-16-12/h2-8H,1H3,(H,16,17,18)
InChIKeyIKAWCKQMYJDHRB-UHFFFAOYSA-N
XLogP2.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine (CID 56913251) is 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine is Cn1ccc2c(-c3ccc4[nH]cnc4n3)ccnc21.
What is the InChIKey of 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is IKAWCKQMYJDHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5/c1-19-7-5-10-9(4-6-15-14(10)19)11-2-3-12-13(18-11)17-8-16-12/h2-8H,1H3,(H,16,17,18).
What are the key properties of 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine?
5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 249.28 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 56913251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).