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

C15H17N3O — CID 112535703

IUPAC3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
SMILESO=C(CCc1ccncc1)n1ccc2c1CCNC2
InChIInChI=1S/C15H17N3O/c19-15(2-1-12-3-7-16-8-4-12)18-10-6-13-11-17-9-5-14(13)18/h3-4,6-8,10,17H,1-2,5,9,11H2
InChIKeyMCXZNLMVVPOLDV-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.80
Rot. Bonds3

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

3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one (PubChem CID 112535703) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
PubChem CID112535703
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one
SMILESO=C(CCc1ccncc1)n1ccc2c1CCNC2
InChIInChI=1S/C15H17N3O/c19-15(2-1-12-3-7-16-8-4-12)18-10-6-13-11-17-9-5-14(13)18/h3-4,6-8,10,17H,1-2,5,9,11H2
InChIKeyMCXZNLMVVPOLDV-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chlorophenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 112535630
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
2-(2-methylphenyl)-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)ethanone
CID 112535634
1-pyrazol-1-yl-3-pyridin-4-ylpropan-1-one
CID 110468375
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 124574556
3-pyridin-4-yl-1-(1,3-thiazolidin-3-yl)propan-1-one
CID 123982868
1-(2,3-dibromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 112536822
(2-bromo-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)-pyridin-4-ylmethanone
CID 112534037
3-pyridin-4-ylpropanoyl iodide
CID 171810746
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridin-4-ylpropan-1-one
CID 78995399
1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 124574584
1-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridin-4-ylpropan-1-one
CID 70786553

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one?
The IUPAC name of 3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one (CID 112535703) is 3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one.
What is the SMILES notation for 3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one?
The canonical SMILES for 3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one is O=C(CCc1ccncc1)n1ccc2c1CCNC2.
What is the InChIKey of 3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one?
The InChIKey is MCXZNLMVVPOLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(2-1-12-3-7-16-8-4-12)18-10-6-13-11-17-9-5-14(13)18/h3-4,6-8,10,17H,1-2,5,9,11H2.
What are the key properties of 3-pyridin-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one?
3-pyridin-4-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-4-yl-1-(4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-1-yl)propan-1-one is sourced from PubChem (CID 112535703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).