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

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Related Compounds

3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one
CID 128658185
3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione
CID 128668051
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone
CID 97254888
(6-chloro-2-pyridinyl)-[(3R)-3-phenyl-7-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
CID 125420218
[(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone
CID 86654097
(1,5-dimethyltriazol-4-yl)-[(3R)-3-phenyl-2-azaspiro[3.5]nonan-2-yl]methanone
CID 129347762
(3-methyltriazolo[4,5-b]pyridin-7-yl)-[(3R)-3-phenyl-2-azaspiro[3.4]octan-2-yl]methanone
CID 129348005
3H-benzimidazol-5-yl-(2,3-diphenyl-2,7-diazaspiro[3.5]nonan-7-yl)methanone
CID 59686161
4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid
CID 122021796
1H-imidazo[4,5-b]pyridin-5-yl-[(4R)-2-(1H-imidazol-2-yl)-4-methoxypyrrolidin-1-yl]methanone
CID 154765161
[2-(4-bromophenyl)morpholin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone
CID 138997867
3-phenyl-N-pyridazin-3-yl-2-azaspiro[3.3]heptane-2-carboxamide
CID 139010732

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).