(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone

C20H29N5O2 — CID 176500182

IUPAC(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCCN1CC(O)CC2(CCN(C(=O)c3ccnc4c3nc(C)n4C)CC2)C1
InChIInChI=1S/C20H29N5O2/c1-4-24-12-15(26)11-20(13-24)6-9-25(10-7-20)19(27)16-5-8-21-18-17(16)22-14(2)23(18)3/h5,8,15,26H,4,6-7,9-13H2,1-3H3
InChIKeyZVPCWYMGMSWWJT-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.59
Rot. Bonds2

About (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone

(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone (PubChem CID 176500182) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone
PubChem CID176500182
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone
SMILESCCN1CC(O)CC2(CCN(C(=O)c3ccnc4c3nc(C)n4C)CC2)C1
InChIInChI=1S/C20H29N5O2/c1-4-24-12-15(26)11-20(13-24)6-9-25(10-7-20)19(27)16-5-8-21-18-17(16)22-14(2)23(18)3/h5,8,15,26H,4,6-7,9-13H2,1-3H3
InChIKeyZVPCWYMGMSWWJT-UHFFFAOYSA-N
XLogP1.59
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 163308956
1-ethyl-3-(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecane-9-carbonyl)-6-methylpyridin-2-one
CID 171911181
[4-(2-amino-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)methanone
CID 165420195
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 163312952
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazin-1-yl]methanone
CID 165425244
(2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-pyridin-2-ylmethanone
CID 72864845
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97155661
[(4R)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]-(6-methyl-3-pyridinyl)methanone
CID 97120580
(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 171913809
(4-ethylpiperazin-1-yl)-pyrido[2,3-b]pyrazin-8-ylmethanone
CID 139018091
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 170505766
5-[(4S)-2-ethyl-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carbonyl]-1H-pyrimidin-6-one
CID 97113994

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone (CID 176500182) is (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone is CCN1CC(O)CC2(CCN(C(=O)c3ccnc4c3nc(C)n4C)CC2)C1.
What is the InChIKey of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is ZVPCWYMGMSWWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-4-24-12-15(26)11-20(13-24)6-9-25(10-7-20)19(27)16-5-8-21-18-17(16)22-14(2)23(18)3/h5,8,15,26H,4,6-7,9-13H2,1-3H3.
What are the key properties of (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone?
(2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 371.49 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylimidazo[4,5-b]pyridin-7-yl)-(2-ethyl-4-hydroxy-2,9-diazaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 176500182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).