2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone

C17H20FN3O2 — CID 97368239

IUPAC2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCOC[C@H]1CN(C(=O)Cc2cccc(F)c2)Cc2ncn(C)c21
InChIInChI=1S/C17H20FN3O2/c1-20-11-19-15-9-21(8-13(10-23-2)17(15)20)16(22)7-12-4-3-5-14(18)6-12/h3-6,11,13H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyFWPGCHDULAGUNZ-CYBMUJFWSA-N
MW317.36 g/mol
LogP1.87
Rot. Bonds4

About 2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone

2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 97368239) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
PubChem CID97368239
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCOC[C@H]1CN(C(=O)Cc2cccc(F)c2)Cc2ncn(C)c21
InChIInChI=1S/C17H20FN3O2/c1-20-11-19-15-9-21(8-13(10-23-2)17(15)20)16(22)7-12-4-3-5-14(18)6-12/h3-6,11,13H,7-10H2,1-2H3/t13-/m1/s1
InChIKeyFWPGCHDULAGUNZ-CYBMUJFWSA-N
XLogP1.87
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone (CID 97368239) is 2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone is COC[C@H]1CN(C(=O)Cc2cccc(F)c2)Cc2ncn(C)c21.
What is the InChIKey of 2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is FWPGCHDULAGUNZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20-11-19-15-9-21(8-13(10-23-2)17(15)20)16(22)7-12-4-3-5-14(18)6-12/h3-6,11,13H,7-10H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 317.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[(7S)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 97368239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).