(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone

C20H25FN4O2 — CID 72885565

IUPAC(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(OC)c(F)c1)CC2
InChIInChI=1S/C20H25FN4O2/c1-3-25-9-6-16-18(23-13-22-16)20(25)7-10-24(11-8-20)19(26)14-4-5-17(27-2)15(21)12-14/h4-5,12-13H,3,6-11H2,1-2H3,(H,22,23)
InChIKeyGWIFOHNGQWQOPA-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.57
Rot. Bonds3

About (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone

(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone (PubChem CID 72885565) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone
PubChem CID72885565
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone
SMILESCCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(OC)c(F)c1)CC2
InChIInChI=1S/C20H25FN4O2/c1-3-25-9-6-16-18(23-13-22-16)20(25)7-10-24(11-8-20)19(26)14-4-5-17(27-2)15(21)12-14/h4-5,12-13H,3,6-11H2,1-2H3,(H,22,23)
InChIKeyGWIFOHNGQWQOPA-UHFFFAOYSA-N
XLogP2.57
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 72868232
(4-hydroxy-3-methylphenyl)-(5-propylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72843067
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(5,6,7,8-tetrahydroquinolin-3-yl)methanone
CID 72929853
[1-(difluoromethyl)pyrazol-3-yl]-(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)methanone
CID 72901157
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 72859382
1-[1'-(4-fluorobenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72839133
(3-hydroxy-4-methylphenyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
CID 72934901
(5-fluoro-3-pyridinyl)-[5-(2-methylpropyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]methanone
CID 72936148
2-methoxy-1-[1'-(3-methoxybenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]ethanone
CID 72866151
1-[1'-(2,3-dihydro-1-benzofuran-5-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
CID 72841244
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 107160164
5-ethyl-1'-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72840375

Frequently Asked Questions

What is the IUPAC name of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone (CID 72885565) is (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone is CCN1CCc2[nH]cnc2C12CCN(C(=O)c1ccc(OC)c(F)c1)CC2.
What is the InChIKey of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone?
The InChIKey is GWIFOHNGQWQOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-3-25-9-6-16-18(23-13-22-16)20(25)7-10-24(11-8-20)19(26)14-4-5-17(27-2)15(21)12-14/h4-5,12-13H,3,6-11H2,1-2H3,(H,22,23).
What are the key properties of (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone?
(5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone has a molecular weight of 372.44 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-(3-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 72885565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).