5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole

C17H14N12O — CID 141157798

IUPAC5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole
SMILESc1c[nH]c(C2(c3nn[nH]n3)OC(c3ccn[nH]3)=C(c3ncc[nH]3)C2c2cn[nH]n2)c1
InChIInChI=1S/C17H14N12O/c1-2-11(18-4-1)17(16-25-28-29-26-16)13(10-8-22-27-24-10)12(15-19-6-7-20-15)14(30-17)9-3-5-21-23-9/h1-8,13,18H,(H,19,20)(H,21,23)(H,22,24,27)(H,25,26,28,29)
InChIKeyYRDWDDZHVGUZIT-UHFFFAOYSA-N
MW402.38 g/mol
LogP0.72
Rot. Bonds5

About 5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole

5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole (PubChem CID 141157798) has the molecular formula C17H14N12O and a molecular weight of 402.38 g/mol. Its IUPAC name is 5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole.

Molecular Properties

Compound Name5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole
PubChem CID141157798
Molecular FormulaC17H14N12O
Molecular Weight402.38 g/mol
Exact Mass402.14
IUPAC Name5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole
SMILESc1c[nH]c(C2(c3nn[nH]n3)OC(c3ccn[nH]3)=C(c3ncc[nH]3)C2c2cn[nH]n2)c1
InChIInChI=1S/C17H14N12O/c1-2-11(18-4-1)17(16-25-28-29-26-16)13(10-8-22-27-24-10)12(15-19-6-7-20-15)14(30-17)9-3-5-21-23-9/h1-8,13,18H,(H,19,20)(H,21,23)(H,22,24,27)(H,25,26,28,29)
InChIKeyYRDWDDZHVGUZIT-UHFFFAOYSA-N
XLogP0.72
TPSA178.41 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 50.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole with MolForge

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Related Compounds

3-(1H-imidazol-2-yl)-4-piperazin-1-yl-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-triazol-4-yl)-1,3-oxazole
CID 140970775
2-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-3-pyridin-3-yl-2-pyridin-4-yl-3H-furan-2-yl]-1H-indole
CID 140974050
5-(1H-imidazol-2-yl)-5-(2H-pyran-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-thiophen-2-yl-4-(2H-triazol-4-yl)-1,3-oxazolidine
CID 140980319
5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-2-(2H-tetrazol-5-yl)-4-(2H-triazol-4-yl)-1,3-oxazole
CID 141001344
6-(1H-imidazol-2-yl)-3-pyrazin-2-yl-6-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-2-pyridin-2-yl-3-pyrimidin-2-yl-2-(2H-triazol-4-yl)morpholine
CID 141005760
2-[2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-4-(1H-pyrrol-2-yl)-4-(2H-tetrazol-5-yl)-5-thiophen-2-yl-3-(1H-1,2,4-triazol-5-yl)oxolan-3-yl]-1,3,5-triazine
CID 141026541
4-(1H-imidazol-2-yl)-4-(2H-isoindol-1-yl)-2-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-5-(2H-tetrazol-5-yl)-3-(2H-triazol-4-yl)-1,3-oxazolidine
CID 141071045
5-[5-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-2-yl]-2H-tetrazole
CID 141159995
2-[3-(1H-imidazol-2-yl)-4-(1H-pyrazol-5-yl)-4-pyridazin-3-yl-3-pyrimidin-2-yl-5-(1H-pyrrol-2-yl)-2-(2H-triazol-4-yl)oxolan-2-yl]pyrazine
CID 141270812
2-[4-(1H-imidazol-2-yl)-3-(oxolan-2-yl)-5-(1H-pyrazol-5-yl)-1H-pyrrol-2-yl]pyridine
CID 141275712
4-(1,3-dihydropyrazol-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3H-1,3-oxazole
CID 141290797
2-[4-imidazol-1-yl-5-(1H-pyrrol-2-yl)-2-(triazin-4-yl)-5-(1H-1,2,4-triazol-5-yl)-4-(2H-triazol-4-yl)furan-3-yl]-1,3-thiazole
CID 141322112

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole?
The IUPAC name of 5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole (CID 141157798) is 5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole.
What is the SMILES notation for 5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole?
The canonical SMILES for 5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole is c1c[nH]c(C2(c3nn[nH]n3)OC(c3ccn[nH]3)=C(c3ncc[nH]3)C2c2cn[nH]n2)c1.
What is the InChIKey of 5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole?
The InChIKey is YRDWDDZHVGUZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N12O/c1-2-11(18-4-1)17(16-25-28-29-26-16)13(10-8-22-27-24-10)12(15-19-6-7-20-15)14(30-17)9-3-5-21-23-9/h1-8,13,18H,(H,19,20)(H,21,23)(H,22,24,27)(H,25,26,28,29).
What are the key properties of 5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole?
5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole has a molecular weight of 402.38 g/mol, XLogP of 0.72, 5 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1H-imidazol-2-yl)-5-(1H-pyrazol-5-yl)-2-(1H-pyrrol-2-yl)-3-(2H-triazol-4-yl)-3H-furan-2-yl]-2H-tetrazole is sourced from PubChem (CID 141157798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).