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

C19H13N7O — CID 162759445

IUPAC[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone
SMILESNc1nc2ccc(-c3cnc4[nH]ccc4c3)cn2c1C(=O)c1ccncn1
InChIInChI=1S/C19H13N7O/c20-18-16(17(27)14-4-5-21-10-24-14)26-9-12(1-2-15(26)25-18)13-7-11-3-6-22-19(11)23-8-13/h1-10H,20H2,(H,22,23)
InChIKeyJOTLPOXKFYXWSY-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.48
Rot. Bonds3

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

[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone (PubChem CID 162759445) has the molecular formula C19H13N7O and a molecular weight of 355.36 g/mol. Its IUPAC name is [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone
PubChem CID162759445
Molecular FormulaC19H13N7O
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC Name[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone
SMILESNc1nc2ccc(-c3cnc4[nH]ccc4c3)cn2c1C(=O)c1ccncn1
InChIInChI=1S/C19H13N7O/c20-18-16(17(27)14-4-5-21-10-24-14)26-9-12(1-2-15(26)25-18)13-7-11-3-6-22-19(11)23-8-13/h1-10H,20H2,(H,22,23)
InChIKeyJOTLPOXKFYXWSY-UHFFFAOYSA-N
XLogP2.48
TPSA114.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-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-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone (CID 162759445) is [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone is Nc1nc2ccc(-c3cnc4[nH]ccc4c3)cn2c1C(=O)c1ccncn1.
What is the InChIKey of [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone?
The InChIKey is JOTLPOXKFYXWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N7O/c20-18-16(17(27)14-4-5-21-10-24-14)26-9-12(1-2-15(26)25-18)13-7-11-3-6-22-19(11)23-8-13/h1-10H,20H2,(H,22,23).
What are the key properties of [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone?
[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone has a molecular weight of 355.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 162759445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).