1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone

C19H20N4O — CID 112533773

IUPAC1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)n1cc(C2CCNCC2)c2ncccc21
InChIInChI=1S/C19H20N4O/c24-18(11-14-3-1-7-21-12-14)23-13-16(15-5-9-20-10-6-15)19-17(23)4-2-8-22-19/h1-4,7-8,12-13,15,20H,5-6,9-11H2
InChIKeyQGSOYLAJBCDEOS-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.78
Rot. Bonds3

About 1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone

1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone (PubChem CID 112533773) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone
PubChem CID112533773
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)n1cc(C2CCNCC2)c2ncccc21
InChIInChI=1S/C19H20N4O/c24-18(11-14-3-1-7-21-12-14)23-13-16(15-5-9-20-10-6-15)19-17(23)4-2-8-22-19/h1-4,7-8,12-13,15,20H,5-6,9-11H2
InChIKeyQGSOYLAJBCDEOS-UHFFFAOYSA-N
XLogP2.78
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone 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-(2-fluorophenyl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
CID 112533829
2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
CID 112533770
3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one
CID 112533904
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
N-piperidin-3-yl-2-pyridin-3-ylacetamide
CID 63321155
1-(5-fluoro-3-piperidin-4-ylindol-1-yl)-2-pyridin-4-ylethanone
CID 22370275
N-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylacetamide
CID 79715380
1-(1-piperidin-4-ylpyrrol-2-yl)-2-pyridin-3-ylethanone
CID 116564776
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 79030214
6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 95825804
N-(2-piperidin-4-yloxyethyl)-2-pyridin-3-ylacetamide
CID 63871778

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone (CID 112533773) is 1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)n1cc(C2CCNCC2)c2ncccc21.
What is the InChIKey of 1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone?
The InChIKey is QGSOYLAJBCDEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c24-18(11-14-3-1-7-21-12-14)23-13-16(15-5-9-20-10-6-15)19-17(23)4-2-8-22-19/h1-4,7-8,12-13,15,20H,5-6,9-11H2.
What are the key properties of 1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone?
1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone has a molecular weight of 320.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 112533773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).