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

C20H17N5 — CID 155805321

IUPAC1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccc(-c3cn(C)c4ncccc34)[nH]2)c2cccnc21
InChIInChI=1S/C20H17N5/c1-24-11-15(13-5-3-9-21-19(13)24)17-7-8-18(23-17)16-12-25(2)20-14(16)6-4-10-22-20/h3-12,23H,1-2H3
InChIKeyRVCGJSPHBMELOP-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.12
Rot. Bonds2

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

1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine (PubChem CID 155805321) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine
PubChem CID155805321
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2ccc(-c3cn(C)c4ncccc34)[nH]2)c2cccnc21
InChIInChI=1S/C20H17N5/c1-24-11-15(13-5-3-9-21-19(13)24)17-7-8-18(23-17)16-12-25(2)20-14(16)6-4-10-22-20/h3-12,23H,1-2H3
InChIKeyRVCGJSPHBMELOP-UHFFFAOYSA-N
XLogP4.12
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine (CID 155805321) is 1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine is Cn1cc(-c2ccc(-c3cn(C)c4ncccc34)[nH]2)c2cccnc21.
What is the InChIKey of 1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine?
The InChIKey is RVCGJSPHBMELOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-24-11-15(13-5-3-9-21-19(13)24)17-7-8-18(23-17)16-12-25(2)20-14(16)6-4-10-22-20/h3-12,23H,1-2H3.
What are the key properties of 1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine?
1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine has a molecular weight of 327.39 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 155805321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).