4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

C21H19FN4O2 — CID 91834797

IUPAC4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc3c([nH]2)CN(C(=O)Cc2cccc(F)c2)CC3)cc1
InChIInChI=1S/C21H19FN4O2/c22-16-3-1-2-13(10-16)11-19(27)26-9-8-17-18(12-26)25-21(24-17)15-6-4-14(5-7-15)20(23)28/h1-7,10H,8-9,11-12H2,(H2,23,28)(H,24,25)
InChIKeyQDDLQJPZVUXSCP-UHFFFAOYSA-N
MW378.41 g/mol
LogP2.44
Rot. Bonds4

About 4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide

4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (PubChem CID 91834797) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
PubChem CID91834797
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc3c([nH]2)CN(C(=O)Cc2cccc(F)c2)CC3)cc1
InChIInChI=1S/C21H19FN4O2/c22-16-3-1-2-13(10-16)11-19(27)26-9-8-17-18(12-26)25-21(24-17)15-6-4-14(5-7-15)20(23)28/h1-7,10H,8-9,11-12H2,(H2,23,28)(H,24,25)
InChIKeyQDDLQJPZVUXSCP-UHFFFAOYSA-N
XLogP2.44
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]acetamide
CID 74248478
4-[5-(6-aminopyridine-3-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 91782580
4-[5-(2-pyridin-2-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91778749
4-[5-(3-propan-2-yl-1,2-oxazole-5-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 91839064
7-[2-(3-fluorophenyl)acetyl]-2-pyridin-3-yl-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 137167045
2-(3-fluorophenyl)-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)ethanone
CID 113089888
4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 91797048
1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 91793391
4-[5-[(2S)-1-methylpiperidine-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 124680303
2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 91917884
4-[5-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 124754292
4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide
CID 91760550

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The IUPAC name of 4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide (CID 91834797) is 4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide.
What is the SMILES notation for 4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The canonical SMILES for 4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is NC(=O)c1ccc(-c2nc3c([nH]2)CN(C(=O)Cc2cccc(F)c2)CC3)cc1.
What is the InChIKey of 4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
The InChIKey is QDDLQJPZVUXSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c22-16-3-1-2-13(10-16)11-19(27)26-9-8-17-18(12-26)25-21(24-17)15-6-4-14(5-7-15)20(23)28/h1-7,10H,8-9,11-12H2,(H2,23,28)(H,24,25).
What are the key properties of 4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide?
4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide has a molecular weight of 378.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(3-fluorophenyl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide is sourced from PubChem (CID 91834797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).