4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde

C19H20N4O2 — CID 109230932

IUPAC4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cncc(C(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C19H20N4O2/c24-14-21-7-9-22(10-8-21)17-11-16(12-20-13-17)19(25)23-6-5-15-3-1-2-4-18(15)23/h1-4,11-14H,5-10H2
InChIKeySNPPNKDBZCOQSD-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.56
Rot. Bonds3

About 4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde

4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde (PubChem CID 109230932) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde
PubChem CID109230932
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(c2cncc(C(=O)N3CCc4ccccc43)c2)CC1
InChIInChI=1S/C19H20N4O2/c24-14-21-7-9-22(10-8-21)17-11-16(12-20-13-17)19(25)23-6-5-15-3-1-2-4-18(15)23/h1-4,11-14H,5-10H2
InChIKeySNPPNKDBZCOQSD-UHFFFAOYSA-N
XLogP1.56
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde 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-dihydroindol-1-yl-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230309
4-[5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde
CID 109230887
2,3-dihydroindol-1-yl-[5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyridinyl]methanone
CID 109238062
3,4-dihydro-2H-quinolin-1-yl-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230630
[5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 155561319
[5-(cyclopropylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109223844
N-(4-chlorophenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108143
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-phenylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109236023
2,3-dihydroindol-1-yl-[5-(dipropylamino)-3-pyridinyl]methanone
CID 109241027
2,3-dihydroindol-1-yl-[5-(3,5-dimethylanilino)-3-pyridinyl]methanone
CID 109242381
N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230953
[5-(butan-2-ylamino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109225396

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde (CID 109230932) is 4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde is O=CN1CCN(c2cncc(C(=O)N3CCc4ccccc43)c2)CC1.
What is the InChIKey of 4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde?
The InChIKey is SNPPNKDBZCOQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-14-21-7-9-22(10-8-21)17-11-16(12-20-13-17)19(25)23-6-5-15-3-1-2-4-18(15)23/h1-4,11-14H,5-10H2.
What are the key properties of 4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde?
4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde has a molecular weight of 336.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109230932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).