[2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone

C21H16N6O — CID 162759559

IUPAC[2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone
SMILESCc1c(-c2ccc3nc(N)c(C(=O)c4ccccn4)n3c2)cnc2[nH]ccc12
InChIInChI=1S/C21H16N6O/c1-12-14-7-9-24-21(14)25-10-15(12)13-5-6-17-26-20(22)18(27(17)11-13)19(28)16-4-2-3-8-23-16/h2-11H,22H2,1H3,(H,24,25)
InChIKeyBRAYDLROLFFJLQ-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.39
Rot. Bonds3

About [2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone

[2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone (PubChem CID 162759559) has the molecular formula C21H16N6O and a molecular weight of 368.40 g/mol. Its IUPAC name is [2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone
PubChem CID162759559
Molecular FormulaC21H16N6O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name[2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone
SMILESCc1c(-c2ccc3nc(N)c(C(=O)c4ccccn4)n3c2)cnc2[nH]ccc12
InChIInChI=1S/C21H16N6O/c1-12-14-7-9-24-21(14)25-10-15(12)13-5-6-17-26-20(22)18(27(17)11-13)19(28)16-4-2-3-8-23-16/h2-11H,22H2,1H3,(H,24,25)
InChIKeyBRAYDLROLFFJLQ-UHFFFAOYSA-N
XLogP3.39
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone 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 [2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone (CID 162759559) is [2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone is Cc1c(-c2ccc3nc(N)c(C(=O)c4ccccn4)n3c2)cnc2[nH]ccc12.
What is the InChIKey of [2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is BRAYDLROLFFJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O/c1-12-14-7-9-24-21(14)25-10-15(12)13-5-6-17-26-20(22)18(27(17)11-13)19(28)16-4-2-3-8-23-16/h2-11H,22H2,1H3,(H,24,25).
What are the key properties of [2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone?
[2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 368.40 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 162759559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).