1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone

C15H20N4O — CID 177040248

IUPAC1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone
SMILESCC(=O)N1CCc2c(N3CCNC4(CC4)C3)ccnc21
InChIInChI=1S/C15H20N4O/c1-11(20)19-8-3-12-13(2-6-16-14(12)19)18-9-7-17-15(10-18)4-5-15/h2,6,17H,3-5,7-10H2,1H3
InChIKeyVEIIEZHRWTWDRM-UHFFFAOYSA-N
MW272.35 g/mol
LogP0.93
Rot. Bonds1

About 1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone

1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone (PubChem CID 177040248) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone
PubChem CID177040248
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone
SMILESCC(=O)N1CCc2c(N3CCNC4(CC4)C3)ccnc21
InChIInChI=1S/C15H20N4O/c1-11(20)19-8-3-12-13(2-6-16-14(12)19)18-9-7-17-15(10-18)4-5-15/h2,6,17H,3-5,7-10H2,1H3
InChIKeyVEIIEZHRWTWDRM-UHFFFAOYSA-N
XLogP0.93
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone;methane
CID 177040247
ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one
CID 177041228
acetylene;4-(3,3-dimethylpiperazin-1-yl)-N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide;propane
CID 177040927
[4-(4,7-diazaspiro[2.5]octan-7-yl)-1-(7-fluoro-2-methylindazol-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate
CID 177041139
butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane
CID 177040837
N-(6-ethylimino-1,4-dimethyl-3-pyridinyl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
CID 177040008
8-(2-methyl-3-propyl-4-pyridinyl)-2-oxa-5,8-diazaspiro[3.5]nonane
CID 177040445
ethane;N-(6-methoxy-2-methylbenzotriazol-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
CID 177040958
7-phenyl-4,7-diazaspiro[2.5]octane
CID 146100859
[4-(3,3-dimethylpiperazin-1-yl)-1-(2,6-dimethylpyrazolo[1,5-a]pyridin-5-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl] 2-amino-2-oxoacetate
CID 177040583
N-(7-methoxy-2-methylpyrazolo[3,4-c]pyridin-5-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[2,3-b]pyridine-1-carboxamide
CID 177041105
7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane
CID 170607583

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone (CID 177040248) is 1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone is CC(=O)N1CCc2c(N3CCNC4(CC4)C3)ccnc21.
What is the InChIKey of 1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone?
The InChIKey is VEIIEZHRWTWDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11(20)19-8-3-12-13(2-6-16-14(12)19)18-9-7-17-15(10-18)4-5-15/h2,6,17H,3-5,7-10H2,1H3.
What are the key properties of 1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone?
1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone has a molecular weight of 272.35 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 177040248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).