2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide

C17H15ClN4O2 — CID 134493958

IUPAC2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1c(=O)[nH]c2ncc(-c3ccc(Cl)cc3)cc21)NC1CC1
InChIInChI=1S/C17H15ClN4O2/c18-12-3-1-10(2-4-12)11-7-14-16(19-8-11)21-17(24)22(14)9-15(23)20-13-5-6-13/h1-4,7-8,13H,5-6,9H2,(H,20,23)(H,19,21,24)
InChIKeyXKHZJJYBLKDOLJ-UHFFFAOYSA-N
MW342.79 g/mol
LogP2.32
Rot. Bonds4

About 2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide

2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide (PubChem CID 134493958) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide
PubChem CID134493958
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1c(=O)[nH]c2ncc(-c3ccc(Cl)cc3)cc21)NC1CC1
InChIInChI=1S/C17H15ClN4O2/c18-12-3-1-10(2-4-12)11-7-14-16(19-8-11)21-17(24)22(14)9-15(23)20-13-5-6-13/h1-4,7-8,13H,5-6,9H2,(H,20,23)(H,19,21,24)
InChIKeyXKHZJJYBLKDOLJ-UHFFFAOYSA-N
XLogP2.32
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-6-Phenyl-1,3-Dihydro-2h-Imidazo[4,5-B]pyridin-2-One
CID 4153551
N-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3-pyridinyl]-4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11848963
7-[(3R)-3-aminopiperidin-1-yl]-1-[(2-chlorophenyl)methyl]-3-methylimidazo[4,5-b]pyridin-2-one
CID 53311223
(8aS)-N-[2-(3-chlorophenyl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56669676
N-[2-(3-chlorophenyl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56673642
US10617676, Example 20
CID 134493705
(2S)-N-[(2S)-1-[(2S)-2-(anilinomethyl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide
CID 73443116
2-(3-chloro-6-oxo-6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl)-N-(2-ethylphenyl)acetamide
CID 3237683
N-[(3R,6S)-1-(cyclopropylmethyl)-2-oxo-6-phenylazepan-3-yl]-4-(2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 11168000
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-chloro-3-pyridinyl)acetamide
CID 24325234
N-[2-(4-chlorophenyl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56673641
N-[2-(2-chlorophenyl)-3-pyridinyl]-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 56683603

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide (CID 134493958) is 2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide is O=C(Cn1c(=O)[nH]c2ncc(-c3ccc(Cl)cc3)cc21)NC1CC1.
What is the InChIKey of 2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide?
The InChIKey is XKHZJJYBLKDOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-12-3-1-10(2-4-12)11-7-14-16(19-8-11)21-17(24)22(14)9-15(23)20-13-5-6-13/h1-4,7-8,13H,5-6,9H2,(H,20,23)(H,19,21,24).
What are the key properties of 2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide?
2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide has a molecular weight of 342.79 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-b]pyridin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 134493958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).