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

C15H17N3O — CID 112535701

IUPAC3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
SMILESO=C(CCc1ccccn1)n1ccc2c1CCNC2
InChIInChI=1S/C15H17N3O/c19-15(5-4-13-3-1-2-8-17-13)18-10-7-12-11-16-9-6-14(12)18/h1-3,7-8,10,16H,4-6,9,11H2
InChIKeyJGVOHRWBEODVQL-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.80
Rot. Bonds3

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

3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one (PubChem CID 112535701) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
PubChem CID112535701
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
SMILESO=C(CCc1ccccn1)n1ccc2c1CCNC2
InChIInChI=1S/C15H17N3O/c19-15(5-4-13-3-1-2-8-17-13)18-10-7-12-11-16-9-6-14(12)18/h1-3,7-8,10,16H,4-6,9,11H2
InChIKeyJGVOHRWBEODVQL-UHFFFAOYSA-N
XLogP1.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
CID 112535703
2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 112535634
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
1-(2,3-dihydroindol-1-yl)-3-pyridin-2-ylpropan-1-one
CID 110389221
2-(2-methoxyphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 112535636
1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one
CID 81483874
1,4-dipyridin-2-ylbutan-2-one
CID 105108067
3-pyridin-2-ylpropanoyl chloride;hydrochloride
CID 87464337
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
1-(1,4-diazaspiro[5.5]undecan-1-yl)-3-pyridin-2-ylpropan-1-one
CID 114289996
1-[2-(aminomethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81479420
1-[5-(2-aminoethyl)imidazol-1-yl]-3-pyridin-2-ylpropan-1-one
CID 112533429

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one?
The IUPAC name of 3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one (CID 112535701) is 3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one.
What is the SMILES notation for 3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one?
The canonical SMILES for 3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one is O=C(CCc1ccccn1)n1ccc2c1CCNC2.
What is the InChIKey of 3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one?
The InChIKey is JGVOHRWBEODVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(5-4-13-3-1-2-8-17-13)18-10-7-12-11-16-9-6-14(12)18/h1-3,7-8,10,16H,4-6,9,11H2.
What are the key properties of 3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one?
3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one has a molecular weight of 255.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one is sourced from PubChem (CID 112535701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).