ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate

C20H25FN4O2 — CID 74246241

IUPACethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCc3nc(-c4cccc(F)c4)[nH]c3C2)CC1
InChIInChI=1S/C20H25FN4O2/c1-2-27-20(26)24-9-6-16(7-10-24)25-11-8-17-18(13-25)23-19(22-17)14-4-3-5-15(21)12-14/h3-5,12,16H,2,6-11,13H2,1H3,(H,22,23)
InChIKeyBMLWGYRSTUNHKR-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.19
Rot. Bonds3

About ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate

ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate (PubChem CID 74246241) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate
PubChem CID74246241
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Nameethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCc3nc(-c4cccc(F)c4)[nH]c3C2)CC1
InChIInChI=1S/C20H25FN4O2/c1-2-27-20(26)24-9-6-16(7-10-24)25-11-8-17-18(13-25)23-19(22-17)14-4-3-5-15(21)12-14/h3-5,12,16H,2,6-11,13H2,1H3,(H,22,23)
InChIKeyBMLWGYRSTUNHKR-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate (CID 74246241) is ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCc3nc(-c4cccc(F)c4)[nH]c3C2)CC1.
What is the InChIKey of ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate?
The InChIKey is BMLWGYRSTUNHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-2-27-20(26)24-9-6-16(7-10-24)25-11-8-17-18(13-25)23-19(22-17)14-4-3-5-15(21)12-14/h3-5,12,16H,2,6-11,13H2,1H3,(H,22,23).
What are the key properties of ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate?
ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate has a molecular weight of 372.44 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 74246241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).