3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole

C21H19N5O2 — CID 90359445

IUPAC3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole
SMILESCOc1ccc2c(Cc3ccc(C4=NNNN4)o3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H19N5O2/c1-27-14-7-9-16-17(11-15-8-10-19(28-15)21-23-25-26-24-21)20(22-18(16)12-14)13-5-3-2-4-6-13/h2-10,12,22,25-26H,11H2,1H3,(H,23,24)
InChIKeyKXNIQLDRPAGMHT-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.30
Rot. Bonds5

About 3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole

3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole (PubChem CID 90359445) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole
PubChem CID90359445
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole
SMILESCOc1ccc2c(Cc3ccc(C4=NNNN4)o3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H19N5O2/c1-27-14-7-9-16-17(11-15-8-10-19(28-15)21-23-25-26-24-21)20(22-18(16)12-14)13-5-3-2-4-6-13/h2-10,12,22,25-26H,11H2,1H3,(H,23,24)
InChIKeyKXNIQLDRPAGMHT-UHFFFAOYSA-N
XLogP3.30
TPSA86.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole with MolForge

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Related Compounds

[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]methanol
CID 86703303
2-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]acetonitrile
CID 86703304
6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
CID 50903301
3-[6-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]-2-pyridinyl]-2H-1,2,4-oxadiazole-5-thione
CID 86703292
CID 53376627
CID 53376627
methyl 3-fluoro-5-[(6-methoxy-2-phenyl-1H-indol-3-yl)methyl]benzoate
CID 69097105
2-butan-2-yl-3-[[6-(2,3-dihydro-1H-tetrazol-5-yl)-2-pyridinyl]methyl]-6-methoxy-1H-indole
CID 90359439
6-methyl-3-[(6-methyl-2-phenyl-1H-indol-3-yl)methyl]-2-phenyl-1H-indole
CID 166069538
5-[(6-chloro-2-phenyl-1H-indol-3-yl)methyl]furan-2-carboxylic acid
CID 69096844
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
CID 71546977
6-[[2-(3,4-difluorophenyl)-6-methoxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 68755330

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole?
The IUPAC name of 3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole (CID 90359445) is 3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole.
What is the SMILES notation for 3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole?
The canonical SMILES for 3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole is COc1ccc2c(Cc3ccc(C4=NNNN4)o3)c(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole?
The InChIKey is KXNIQLDRPAGMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-27-14-7-9-16-17(11-15-8-10-19(28-15)21-23-25-26-24-21)20(22-18(16)12-14)13-5-3-2-4-6-13/h2-10,12,22,25-26H,11H2,1H3,(H,23,24).
What are the key properties of 3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole?
3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole has a molecular weight of 373.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,3-dihydro-1H-tetrazol-5-yl)furan-2-yl]methyl]-6-methoxy-2-phenyl-1H-indole is sourced from PubChem (CID 90359445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).