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

C19H17FN4O — CID 53145378

IUPAC2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCc2[nH]cnc2C1c1ccncc1
InChIInChI=1S/C19H17FN4O/c20-15-3-1-2-13(10-15)11-17(25)24-9-6-16-18(23-12-22-16)19(24)14-4-7-21-8-5-14/h1-5,7-8,10,12,19H,6,9,11H2,(H,22,23)
InChIKeyKOBDWZLSMSKQOA-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.66
Rot. Bonds3

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

2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 53145378) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
PubChem CID53145378
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1cccc(F)c1)N1CCc2[nH]cnc2C1c1ccncc1
InChIInChI=1S/C19H17FN4O/c20-15-3-1-2-13(10-15)11-17(25)24-9-6-16-18(23-12-22-16)19(24)14-4-7-21-8-5-14/h1-5,7-8,10,12,19H,6,9,11H2,(H,22,23)
InChIKeyKOBDWZLSMSKQOA-UHFFFAOYSA-N
XLogP2.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 53145388
ethane;1-[4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one
CID 91332114
2-(3H-benzimidazol-5-yl)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92612204
3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 99928379
N-propan-2-yl-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 21330714
(2S)-2-(3-fluorophenoxy)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551386
methyl (2S)-2-[[(4S)-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-3-phenylpropanoate
CID 29134831
methyl (2S)-2-[[(4S)-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-4-methylpentanoate
CID 29129939
ethane;1-[4-[(3-fluorophenyl)methyl]-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one
CID 90986723
dimethyl (2R)-2-[[(4S)-4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanedioate
CID 51808916
2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 166248958
dimethyl 2-[[4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]pentanedioate
CID 45370181

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (CID 53145378) is 2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is O=C(Cc1cccc(F)c1)N1CCc2[nH]cnc2C1c1ccncc1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is KOBDWZLSMSKQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c20-15-3-1-2-13(10-15)11-17(25)24-9-6-16-18(23-12-22-16)19(24)14-4-7-21-8-5-14/h1-5,7-8,10,12,19H,6,9,11H2,(H,22,23).
What are the key properties of 2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 336.37 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 53145378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).