2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C20H15ClFN3O — CID 72653116

IUPAC2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(C(F)=Cc4ccccc4Cl)c3)cc21
InChIInChI=1S/C20H15ClFN3O/c21-15-4-2-1-3-12(15)9-16(22)19-10-13(5-7-23-19)18-11-14-17(25-18)6-8-24-20(14)26/h1-5,7,9-11,25H,6,8H2,(H,24,26)
InChIKeySLYKHUSZSCVFAR-UHFFFAOYSA-N
MW367.81 g/mol
LogP4.48
Rot. Bonds3

About 2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 72653116) has the molecular formula C20H15ClFN3O and a molecular weight of 367.81 g/mol. Its IUPAC name is 2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID72653116
Molecular FormulaC20H15ClFN3O
Molecular Weight367.81 g/mol
Exact Mass367.09
IUPAC Name2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccnc(C(F)=Cc4ccccc4Cl)c3)cc21
InChIInChI=1S/C20H15ClFN3O/c21-15-4-2-1-3-12(15)9-16(22)19-10-13(5-7-23-19)18-11-14-17(25-18)6-8-24-20(14)26/h1-5,7,9-11,25H,6,8H2,(H,24,26)
InChIKeySLYKHUSZSCVFAR-UHFFFAOYSA-N
XLogP4.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

2-[2-[(Z)-C-phenylcarbonohydrazonoyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 90691473
2-[2-[2-(2-fluorophenyl)ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 72653061
2-[2-(3,4-dichlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetaldehyde
CID 160564268
2-(2-pyridin-4-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 16719968
2-[2-[(Z)-C-phenylcarbonohydrazonoyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 159360603
2-[2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
CID 159965383
2-[2-[2-[2-(trifluoromethoxy)phenyl]ethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 72652967
4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid
CID 16720315
2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride
CID 169445506
2-[2-[[methyl(phenyl)hydrazinylidene]methyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 72653082
acetic acid;2-[2-(3-acetyl-5-chlorophenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 91079824
2-[2-(3,4-difluoro-5-phosphanylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 142917082

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 72653116) is 2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccnc(C(F)=Cc4ccccc4Cl)c3)cc21.
What is the InChIKey of 2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is SLYKHUSZSCVFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O/c21-15-4-2-1-3-12(15)9-16(22)19-10-13(5-7-23-19)18-11-14-17(25-18)6-8-24-20(14)26/h1-5,7,9-11,25H,6,8H2,(H,24,26).
What are the key properties of 2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 367.81 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-chlorophenyl)-1-fluoroethenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 72653116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).