4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine

C21H18N8O — CID 71459268

IUPAC4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
SMILESCn1cc2c(nc(NCCc3c[nH]c4ccccc34)n3nc(-c4ccco4)nc23)n1
InChIInChI=1S/C21H18N8O/c1-28-12-15-18(26-28)25-21(29-20(15)24-19(27-29)17-7-4-10-30-17)22-9-8-13-11-23-16-6-3-2-5-14(13)16/h2-7,10-12,23H,8-9H2,1H3,(H,22,25,26)
InChIKeyQCJSUMWNJLEJCF-UHFFFAOYSA-N
MW398.43 g/mol
LogP3.41
Rot. Bonds5

About 4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine

4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine (PubChem CID 71459268) has the molecular formula C21H18N8O and a molecular weight of 398.43 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
PubChem CID71459268
Molecular FormulaC21H18N8O
Molecular Weight398.43 g/mol
Exact Mass398.16
IUPAC Name4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine
SMILESCn1cc2c(nc(NCCc3c[nH]c4ccccc34)n3nc(-c4ccco4)nc23)n1
InChIInChI=1S/C21H18N8O/c1-28-12-15-18(26-28)25-21(29-20(15)24-19(27-29)17-7-4-10-30-17)22-9-8-13-11-23-16-6-3-2-5-14(13)16/h2-7,10-12,23H,8-9H2,1H3,(H,22,25,26)
InChIKeyQCJSUMWNJLEJCF-UHFFFAOYSA-N
XLogP3.41
TPSA101.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine 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

N-[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]pent-4-ynamide
CID 134155693
tert-butyl N-[3-[[2-[4-[[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]carbamoylamino]phenyl]acetyl]amino]propyl]carbamate
CID 140612767
2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-3-propylimidazo[4,5-b]pyridin-5-amine
CID 176907909
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 52906564
1-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111833956
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121090616
2-amino-6-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4-carboxamide
CID 11416733
2-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 30850555
7-(2-fluoroethyl)-8-[2-(1H-indol-3-yl)ethylamino]-1,3-dimethylpurine-2,6-dione
CID 177374181
4-N-[2-(1H-indol-3-yl)ethyl]-2-N,6-dimethylpyrimidine-2,4-diamine
CID 73254465
N-[2-(1H-indol-3-yl)ethyl]-1H-indol-3-amine
CID 91539379
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine?
The IUPAC name of 4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine (CID 71459268) is 4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine?
The canonical SMILES for 4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine is Cn1cc2c(nc(NCCc3c[nH]c4ccccc34)n3nc(-c4ccco4)nc23)n1.
What is the InChIKey of 4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine?
The InChIKey is QCJSUMWNJLEJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N8O/c1-28-12-15-18(26-28)25-21(29-20(15)24-19(27-29)17-7-4-10-30-17)22-9-8-13-11-23-16-6-3-2-5-14(13)16/h2-7,10-12,23H,8-9H2,1H3,(H,22,25,26).
What are the key properties of 4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine?
4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine has a molecular weight of 398.43 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-amine is sourced from PubChem (CID 71459268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).