3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine

C20H27N5O — CID 58965045

IUPAC3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine
SMILESCN1CCN(CCCNCc2ccc(-c3ccnc4[nH]ccc34)o2)CC1
InChIInChI=1S/C20H27N5O/c1-24-11-13-25(14-12-24)10-2-7-21-15-16-3-4-19(26-16)17-5-8-22-20-18(17)6-9-23-20/h3-6,8-9,21H,2,7,10-15H2,1H3,(H,22,23)
InChIKeyGYMVBQOXLVVBRX-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.55
Rot. Bonds7

About 3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine

3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine (PubChem CID 58965045) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine
PubChem CID58965045
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine
SMILESCN1CCN(CCCNCc2ccc(-c3ccnc4[nH]ccc34)o2)CC1
InChIInChI=1S/C20H27N5O/c1-24-11-13-25(14-12-24)10-2-7-21-15-16-3-4-19(26-16)17-5-8-22-20-18(17)6-9-23-20/h3-6,8-9,21H,2,7,10-15H2,1H3,(H,22,23)
InChIKeyGYMVBQOXLVVBRX-UHFFFAOYSA-N
XLogP2.55
TPSA60.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine (CID 58965045) is 3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine is CN1CCN(CCCNCc2ccc(-c3ccnc4[nH]ccc34)o2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is GYMVBQOXLVVBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-24-11-13-25(14-12-24)10-2-7-21-15-16-3-4-19(26-16)17-5-8-22-20-18(17)6-9-23-20/h3-6,8-9,21H,2,7,10-15H2,1H3,(H,22,23).
What are the key properties of 3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine?
3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 353.47 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-N-[[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 58965045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).