5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one

C21H25N5O2 — CID 146343545

IUPAC5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one
SMILESCn1cnc2c1CCN(CCN1CCC(c3noc4ccccc34)CC1)C2=O
InChIInChI=1S/C21H25N5O2/c1-24-14-22-20-17(24)8-11-26(21(20)27)13-12-25-9-6-15(7-10-25)19-16-4-2-3-5-18(16)28-23-19/h2-5,14-15H,6-13H2,1H3
InChIKeyOLFDLQGPVNBREO-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.44
Rot. Bonds4

About 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one

5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one (PubChem CID 146343545) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one.

Molecular Properties

Compound Name5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one
PubChem CID146343545
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one
SMILESCn1cnc2c1CCN(CCN1CCC(c3noc4ccccc34)CC1)C2=O
InChIInChI=1S/C21H25N5O2/c1-24-14-22-20-17(24)8-11-26(21(20)27)13-12-25-9-6-15(7-10-25)19-16-4-2-3-5-18(16)28-23-19/h2-5,14-15H,6-13H2,1H3
InChIKeyOLFDLQGPVNBREO-UHFFFAOYSA-N
XLogP2.44
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[4-(3-methylisoxazol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 59729296
3-(1,2-benzoxazol-3-yl)-4-[3-(1-propylimidazol-4-yl)-3H-inden-1-yl]pyrrole-2,5-dione
CID 162677487
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[3-[4-(5-phenyl-1,2-oxazol-3-yl)piperidin-1-yl]propyl]purine-2,6-dione
CID 141750315
3-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]methyl]-N,N-dimethylbenzamide
CID 90667417
4-Acetyl-1-[3-[4-amino-5-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-3,3-dimethylpiperazin-2-one
CID 137655684
1,3-dimethyl-8-[(4-phenyl-1,2-oxazol-3-yl)methyl]-7,9-dihydro-6H-purino[7,8-a]pyrazine-2,4-dione
CID 155559219
[(3R)-3-[[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 162645914
(13R)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 53242209
(12R,13S)-N-(5-benzyl-1,2-oxazol-3-yl)-12,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 53242210
(12S,13S)-N-(5-benzyl-1,2-oxazol-3-yl)-12,13-dimethyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 89585575
(13S)-N-(5-benzyl-1,2-oxazol-3-yl)-13-methyl-10-oxo-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraene-4-carboxamide
CID 89585603
6-Fluoro-3-[1-[6-(4-methylimidazol-1-yl)pyridazin-3-yl]piperidin-4-yl]-1,2-benzoxazole
CID 89628191

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one?
The IUPAC name of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one (CID 146343545) is 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one.
What is the SMILES notation for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one?
The canonical SMILES for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one is Cn1cnc2c1CCN(CCN1CCC(c3noc4ccccc34)CC1)C2=O.
What is the InChIKey of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one?
The InChIKey is OLFDLQGPVNBREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-24-14-22-20-17(24)8-11-26(21(20)27)13-12-25-9-6-15(7-10-25)19-16-4-2-3-5-18(16)28-23-19/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one?
5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one has a molecular weight of 379.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-1-methyl-6,7-dihydroimidazo[4,5-c]pyridin-4-one is sourced from PubChem (CID 146343545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).