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

C20H19N3O — CID 171838365

IUPAC2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCc1cccc(-c2ccc(-c3cc4c([nH]3)CCNC4=O)cn2)c1
InChIInChI=1S/C20H19N3O/c1-2-13-4-3-5-14(10-13)17-7-6-15(12-22-17)19-11-16-18(23-19)8-9-21-20(16)24/h3-7,10-12,23H,2,8-9H2,1H3,(H,21,24)
InChIKeyPXKHGQAHUGSKFL-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.59
Rot. Bonds3

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

2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 171838365) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID171838365
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCCc1cccc(-c2ccc(-c3cc4c([nH]3)CCNC4=O)cn2)c1
InChIInChI=1S/C20H19N3O/c1-2-13-4-3-5-14(10-13)17-7-6-15(12-22-17)19-11-16-18(23-19)8-9-21-20(16)24/h3-7,10-12,23H,2,8-9H2,1H3,(H,21,24)
InChIKeyPXKHGQAHUGSKFL-UHFFFAOYSA-N
XLogP3.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[3-ethyl-5-(1H-indol-6-yl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 175617473
2-[3-(1,8-naphthyridin-2-yl)phenyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 91074895
2-[2-(3-but-1-enylphenyl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 72652926
2-[2-[3-(4-methylpentyl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetaldehyde
CID 159735347
2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;dihydrochloride
CID 169445506
2-[2-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 158207286
2-[2-[3-[C-methyl-N-[[3-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 72652945
2-[2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;1,1,1-trifluoropropan-2-one
CID 91031351
2-[2-[5-(2-methylpropyl)-3-pyridinyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;bis(2,2,2-trifluoroacetaldehyde)
CID 159607720
2-[2-[3-(2-aminoacetyl)phenyl]-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;bis(2,2,2-trifluoroacetic acid)
CID 87959696
4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)-2-pyridinyl]benzoic acid
CID 16720315
2-(2-chloro-3-fluoro-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 86594719

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 171838365) is 2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CCc1cccc(-c2ccc(-c3cc4c([nH]3)CCNC4=O)cn2)c1.
What is the InChIKey of 2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is PXKHGQAHUGSKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-2-13-4-3-5-14(10-13)17-7-6-15(12-22-17)19-11-16-18(23-19)8-9-21-20(16)24/h3-7,10-12,23H,2,8-9H2,1H3,(H,21,24).
What are the key properties of 2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 317.39 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-ethylphenyl)-3-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 171838365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).