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

C20H18ClN3O — CID 159128879

IUPAC2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC2=C(C1)C(c1ccncc1)=NC2
InChIInChI=1S/C20H18ClN3O/c21-17-3-1-2-14(10-17)11-19(25)24-9-6-16-12-23-20(18(16)13-24)15-4-7-22-8-5-15/h1-5,7-8,10H,6,9,11-13H2
InChIKeyKGPXZYFIZZUSIW-UHFFFAOYSA-N
MW351.84 g/mol
LogP3.31
Rot. Bonds3

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

2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone (PubChem CID 159128879) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone
PubChem CID159128879
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone
SMILESO=C(Cc1cccc(Cl)c1)N1CCC2=C(C1)C(c1ccncc1)=NC2
InChIInChI=1S/C20H18ClN3O/c21-17-3-1-2-14(10-17)11-19(25)24-9-6-16-12-23-20(18(16)13-24)15-4-7-22-8-5-15/h1-5,7-8,10H,6,9,11-13H2
InChIKeyKGPXZYFIZZUSIW-UHFFFAOYSA-N
XLogP3.31
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone
CID 159669833
2-(3-chlorophenyl)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71988771
2-(3-chlorophenyl)-1-(6-chloro-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)ethanone
CID 161050132
2-(3-chlorophenyl)-1-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 70741660
7-[2-(3-chlorophenyl)acetyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532721
1-(2-bromo-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-(3-chlorophenyl)ethanone
CID 112536197
2-(3-chlorophenyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 110712676
4-[2-(3-chlorophenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708429
2-(3-chlorophenyl)-1-(7-pyridin-3-yl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanone
CID 172815998
N-(2-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide
CID 157442215
4-[2-(3-chlorophenyl)acetyl]-1-cyclopropylpiperazin-2-one
CID 110720798
4-benzyl-1-[2-(3-chlorophenyl)acetyl]-1,4-diazepan-5-one
CID 42366762

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone (CID 159128879) is 2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone is O=C(Cc1cccc(Cl)c1)N1CCC2=C(C1)C(c1ccncc1)=NC2.
What is the InChIKey of 2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone?
The InChIKey is KGPXZYFIZZUSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-17-3-1-2-14(10-17)11-19(25)24-9-6-16-12-23-20(18(16)13-24)15-4-7-22-8-5-15/h1-5,7-8,10H,6,9,11-13H2.
What are the key properties of 2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone?
2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone has a molecular weight of 351.84 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 159128879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).