N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide

C20H25FN4O2 — CID 83273778

IUPACN-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1CC)CN(C(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C20H25FN4O2/c1-3-19(26)22-12-18-23-16-9-10-24(13-17(16)25(18)4-2)20(27)11-14-5-7-15(21)8-6-14/h5-8H,3-4,9-13H2,1-2H3,(H,22,26)
InChIKeyOERXSQQEJZKCDO-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.20
Rot. Bonds6

About N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide

N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (PubChem CID 83273778) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
PubChem CID83273778
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1nc2c(n1CC)CN(C(=O)Cc1ccc(F)cc1)CC2
InChIInChI=1S/C20H25FN4O2/c1-3-19(26)22-12-18-23-16-9-10-24(13-17(16)25(18)4-2)20(27)11-14-5-7-15(21)8-6-14/h5-8H,3-4,9-13H2,1-2H3,(H,22,26)
InChIKeyOERXSQQEJZKCDO-UHFFFAOYSA-N
XLogP2.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[2-(3-methoxyphenyl)acetyl]-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 53191009
2-(4-fluorophenyl)-1-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)ethanone
CID 110872772
N-[[3-methyl-5-[2-[4-(trifluoromethoxy)phenyl]acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide
CID 53191002
N-[[5-(2-methoxybenzoyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 71836363
N-[[3-methyl-5-(2-methylbenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 71836360
N-[[5-(2,4-difluorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide
CID 71835755
N-[[3-ethyl-5-(4-methoxybenzoyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]cyclobutanecarboxamide
CID 53191063
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
CID 110365716
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]ethanone
CID 108751170
N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 56576179
tert-butyl 3-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine-5-carboxylate
CID 69158608
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenylethanone
CID 112536189

Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The IUPAC name of N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide (CID 83273778) is N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is CCC(=O)NCc1nc2c(n1CC)CN(C(=O)Cc1ccc(F)cc1)CC2.
What is the InChIKey of N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
The InChIKey is OERXSQQEJZKCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-3-19(26)22-12-18-23-16-9-10-24(13-17(16)25(18)4-2)20(27)11-14-5-7-15(21)8-6-14/h5-8H,3-4,9-13H2,1-2H3,(H,22,26).
What are the key properties of N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide?
N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide has a molecular weight of 372.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-5-[2-(4-fluorophenyl)acetyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]propanamide is sourced from PubChem (CID 83273778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).