[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone

C18H16N6O — CID 162759574

IUPAC[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone
SMILESNc1nc2ccc(-c3cnc4[nH]ccc4c3)cn2c1C(=O)C1CNC1
InChIInChI=1S/C18H16N6O/c19-17-15(16(25)13-6-20-7-13)24-9-11(1-2-14(24)23-17)12-5-10-3-4-21-18(10)22-8-12/h1-5,8-9,13,20H,6-7,19H2,(H,21,22)
InChIKeyXEFCAQQLHLKGDT-UHFFFAOYSA-N
MW332.37 g/mol
LogP1.86
Rot. Bonds3

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

[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone (PubChem CID 162759574) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone.

Molecular Properties

Compound Name[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone
PubChem CID162759574
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone
SMILESNc1nc2ccc(-c3cnc4[nH]ccc4c3)cn2c1C(=O)C1CNC1
InChIInChI=1S/C18H16N6O/c19-17-15(16(25)13-6-20-7-13)24-9-11(1-2-14(24)23-17)12-5-10-3-4-21-18(10)22-8-12/h1-5,8-9,13,20H,6-7,19H2,(H,21,22)
InChIKeyXEFCAQQLHLKGDT-UHFFFAOYSA-N
XLogP1.86
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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]-(azetidin-3-yl)methanone?
The IUPAC name of [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone (CID 162759574) is [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone.
What is the SMILES notation for [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone?
The canonical SMILES for [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone is Nc1nc2ccc(-c3cnc4[nH]ccc4c3)cn2c1C(=O)C1CNC1.
What is the InChIKey of [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone?
The InChIKey is XEFCAQQLHLKGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c19-17-15(16(25)13-6-20-7-13)24-9-11(1-2-14(24)23-17)12-5-10-3-4-21-18(10)22-8-12/h1-5,8-9,13,20H,6-7,19H2,(H,21,22).
What are the key properties of [2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone?
[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone has a molecular weight of 332.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 6 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]-(azetidin-3-yl)methanone is sourced from PubChem (CID 162759574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).