1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone

C20H20N4O — CID 128658219

IUPAC1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone
SMILESO=C(c1ccc2[nH]cnc2n1)N1CC2(CCCC2)C1c1ccccc1
InChIInChI=1S/C20H20N4O/c25-19(16-9-8-15-18(23-16)22-13-21-15)24-12-20(10-4-5-11-20)17(24)14-6-2-1-3-7-14/h1-3,6-9,13,17H,4-5,10-12H2,(H,21,22,23)
InChIKeyNDUDPTOKHXFVKQ-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.72
Rot. Bonds2

About 1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone

1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone (PubChem CID 128658219) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

Compound Name1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone
PubChem CID128658219
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone
SMILESO=C(c1ccc2[nH]cnc2n1)N1CC2(CCCC2)C1c1ccccc1
InChIInChI=1S/C20H20N4O/c25-19(16-9-8-15-18(23-16)22-13-21-15)24-12-20(10-4-5-11-20)17(24)14-6-2-1-3-7-14/h1-3,6-9,13,17H,4-5,10-12H2,(H,21,22,23)
InChIKeyNDUDPTOKHXFVKQ-UHFFFAOYSA-N
XLogP3.72
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone 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 1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone?
The IUPAC name of 1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone (CID 128658219) is 1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone.
What is the SMILES notation for 1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone?
The canonical SMILES for 1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone is O=C(c1ccc2[nH]cnc2n1)N1CC2(CCCC2)C1c1ccccc1.
What is the InChIKey of 1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone?
The InChIKey is NDUDPTOKHXFVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-19(16-9-8-15-18(23-16)22-13-21-15)24-12-20(10-4-5-11-20)17(24)14-6-2-1-3-7-14/h1-3,6-9,13,17H,4-5,10-12H2,(H,21,22,23).
What are the key properties of 1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone?
1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone has a molecular weight of 332.41 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[4,5-b]pyridin-5-yl-(3-phenyl-2-azaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 128658219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).