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

C17H20FN3O2 — CID 97368238

IUPAC2-(3-fluorophenyl)-1-[(7R)-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-/m0/s1
InChIKeyFWPGCHDULAGUNZ-ZDUSSCGKSA-N
MW317.36 g/mol
LogP1.87
Rot. Bonds4

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

2-(3-fluorophenyl)-1-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 97368238) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
PubChem CID97368238
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name2-(3-fluorophenyl)-1-[(7R)-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-/m0/s1
InChIKeyFWPGCHDULAGUNZ-ZDUSSCGKSA-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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Related Compounds

(3R)-3-amino-1-(1-methyl-4-(trifluoromethyl)-6,7-dihydro-1H-imidazo[4,5-c]pyridin-5(4H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
CID 44443727
1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-phenylethanone
CID 14403823
1-(1-benzyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2,2-diphenylethanone
CID 15105590
1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2,2-diphenylethanone
CID 44339351
1-[1-benzyl-6-(hydroxymethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-2-cyclopentyl-2-phenylethanone
CID 44339533
1-{2,3-Dimethyl-3H,4H,5H,6H,7H-imidazo[4,5-C]pyridin-5-YL}-2-(4-fluorophenyl)ethan-1-one
CID 71687161
methyl (6S)-5-(4-fluorobenzoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26745538
methyl (6S)-5-(4-fluorobenzoyl)-3-propyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-6-carboxylate
CID 26761663
2-(3-Fluorophenyl)-1-{1H,4H,5H,6H,7H-imidazo[4,5-C]pyridin-5-YL}ethan-1-one
CID 53145220
2-(4-Fluorophenyl)-1-{1H,4H,5H,6H,7H-imidazo[4,5-C]pyridin-5-YL}ethan-1-one
CID 53145236
N-({5-[2-(3-Fluorophenyl)acetyl]-3-methyl-3H,4H,5H,6H,7H-imidazo[4,5-C]pyridin-2-YL}methyl)cyclobutanecarboxamide
CID 53191038
N-({3-Ethyl-5-[2-(3-fluorophenyl)acetyl]-3H,4H,5H,6H,7H-imidazo[4,5-C]pyridin-2-YL}methyl)propanamide
CID 53191056

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone (CID 97368238) is 2-(3-fluorophenyl)-1-[(7R)-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-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[(7R)-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-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is FWPGCHDULAGUNZ-ZDUSSCGKSA-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-/m0/s1.
What are the key properties of 2-(3-fluorophenyl)-1-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone?
2-(3-fluorophenyl)-1-[(7R)-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-[(7R)-7-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 97368238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).