5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole

C28H23N15S — CID 141082068

IUPAC5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1c[nH]c(C2=NC(c3ccn[nH]3)=C(c3ncc[nH]3)S2(c2cn[nH]n2)(c2nn[nH]n2)(c2ccc[nH]2)c2[nH]cc3ccccc23)c1
InChIInChI=1S/C28H23N15S/c1-2-6-18-17(5-1)15-33-26(18)44(21-8-4-11-30-21,22-16-35-41-38-22,28-39-42-43-40-28)24(25-31-13-14-32-25)23(19-9-12-34-37-19)36-27(44)20-7-3-10-29-20/h1-16,29-30,33H,(H,31,32)(H,34,37)(H,35,38,41)(H,39,40,42,43)
InChIKeyAHWRBAOVARBBAB-UHFFFAOYSA-N
MW601.66 g/mol
LogP4.30
Rot. Bonds7

About 5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole

5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole (PubChem CID 141082068) has the molecular formula C28H23N15S and a molecular weight of 601.66 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole
PubChem CID141082068
Molecular FormulaC28H23N15S
Molecular Weight601.66 g/mol
Exact Mass601.20
IUPAC Name5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole
SMILESc1c[nH]c(C2=NC(c3ccn[nH]3)=C(c3ncc[nH]3)S2(c2cn[nH]n2)(c2nn[nH]n2)(c2ccc[nH]2)c2[nH]cc3ccccc23)c1
InChIInChI=1S/C28H23N15S/c1-2-6-18-17(5-1)15-33-26(18)44(21-8-4-11-30-21,22-16-35-41-38-22,28-39-42-43-40-28)24(25-31-13-14-32-25)23(19-9-12-34-37-19)36-27(44)20-7-3-10-29-20/h1-16,29-30,33H,(H,31,32)(H,34,37)(H,35,38,41)(H,39,40,42,43)
InChIKeyAHWRBAOVARBBAB-UHFFFAOYSA-N
XLogP4.30
TPSA213.12 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.66
LogP ≤ 54.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Analyze 5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole with MolForge

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Related Compounds

3-[5-(4-fluorophenyl)sulfanyl-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]-1H-indole
CID 166927802
6-fluoro-2-[[4-[3-(1H-imidazol-5-yl)propyl]-5-pyridin-3-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 175639553
6-fluoro-3-[[5-[(6-fluoro-1H-indol-3-yl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]sulfanyl]-1H-indole
CID 176514786
3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136944423
3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945702
3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 136945705
3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 136947328
3-[4-[(1E)-1-(5-fluorothiophen-2-yl)buta-1,3-dienyl]-5-methyl-1H-pyrrol-2-yl]-5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137034359
5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridine
CID 137034364
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137038876
3-[4-(5-fluorothiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137040487
3-[7-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137056981

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole?
The IUPAC name of 5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole (CID 141082068) is 5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole?
The canonical SMILES for 5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole is c1c[nH]c(C2=NC(c3ccn[nH]3)=C(c3ncc[nH]3)S2(c2cn[nH]n2)(c2nn[nH]n2)(c2ccc[nH]2)c2[nH]cc3ccccc23)c1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole?
The InChIKey is AHWRBAOVARBBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N15S/c1-2-6-18-17(5-1)15-33-26(18)44(21-8-4-11-30-21,22-16-35-41-38-22,28-39-42-43-40-28)24(25-31-13-14-32-25)23(19-9-12-34-37-19)36-27(44)20-7-3-10-29-20/h1-16,29-30,33H,(H,31,32)(H,34,37)(H,35,38,41)(H,39,40,42,43).
What are the key properties of 5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole?
5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole has a molecular weight of 601.66 g/mol, XLogP of 4.30, 7 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-1-(2H-isoindol-1-yl)-4-(1H-pyrazol-5-yl)-1,2-bis(1H-pyrrol-2-yl)-1-(2H-tetrazol-5-yl)-1-(2H-triazol-4-yl)-1,3-thiazole is sourced from PubChem (CID 141082068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).