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

C16H24N4O — CID 177040247

IUPAC1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone;methane
SMILESC.CC(=O)N1CCc2c(N3CCNC4(CC4)C3)ccnc21
InChIInChI=1S/C15H20N4O.CH4/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;1H4
InChIKeyHAXUKVXOIWRMSM-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.57
Rot. Bonds1

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

1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone;methane (PubChem CID 177040247) has the molecular formula C16H24N4O and a molecular weight of 288.39 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;methane.

Molecular Properties

Compound Name1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone;methane
PubChem CID177040247
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone;methane
SMILESC.CC(=O)N1CCc2c(N3CCNC4(CC4)C3)ccnc21
InChIInChI=1S/C15H20N4O.CH4/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;1H4
InChIKeyHAXUKVXOIWRMSM-UHFFFAOYSA-N
XLogP1.57
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.57
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
CID 177040248
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
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
1-(1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepin-5-yl)ethanone
CID 82403408

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;methane?
The IUPAC name of 1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone;methane (CID 177040247) is 1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone;methane.
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;methane?
The canonical SMILES for 1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone;methane is C.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;methane?
The InChIKey is HAXUKVXOIWRMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.CH4/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;1H4.
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;methane?
1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone;methane has a molecular weight of 288.39 g/mol, XLogP of 1.57, 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;methane is sourced from PubChem (CID 177040247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).