3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole

C32H17N17S2 — CID 141175822

IUPAC3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole
SMILESc1ccc2c(-c3c(-c4ncsn4)c(-c4ccsn4)c(-c4ncc5[nH]cnc5n4)c4[nH]c5ccc(-c6c[nH]nn6)c(-c6nnn[nH]6)c5c34)n[nH]c2c1
InChIInChI=1S/C32H17N17S2/c1-2-4-15-14(3-1)27(42-40-15)24-23-21-16(6-5-13(18-10-37-47-41-18)20(21)32-43-48-49-44-32)38-28(23)26(30-33-9-19-29(39-30)35-11-34-19)22(17-7-8-50-45-17)25(24)31-36-12-51-46-31/h1-12,38H,(H,40,42)(H,37,41,47)(H,33,34,35,39)(H,43,44,48,49)
InChIKeyHSWVRDBJOXPNOT-UHFFFAOYSA-N
MW703.74 g/mol
LogP5.80
Rot. Bonds6

About 3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole

3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole (PubChem CID 141175822) has the molecular formula C32H17N17S2 and a molecular weight of 703.74 g/mol. Its IUPAC name is 3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole.

Molecular Properties

Compound Name3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole
PubChem CID141175822
Molecular FormulaC32H17N17S2
Molecular Weight703.74 g/mol
Exact Mass703.13
IUPAC Name3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole
SMILESc1ccc2c(-c3c(-c4ncsn4)c(-c4ccsn4)c(-c4ncc5[nH]cnc5n4)c4[nH]c5ccc(-c6c[nH]nn6)c(-c6nnn[nH]6)c5c34)n[nH]c2c1
InChIInChI=1S/C32H17N17S2/c1-2-4-15-14(3-1)27(42-40-15)24-23-21-16(6-5-13(18-10-37-47-41-18)20(21)32-43-48-49-44-32)38-28(23)26(30-33-9-19-29(39-30)35-11-34-19)22(17-7-8-50-45-17)25(24)31-36-12-51-46-31/h1-12,38H,(H,40,42)(H,37,41,47)(H,33,34,35,39)(H,43,44,48,49)
InChIKeyHSWVRDBJOXPNOT-UHFFFAOYSA-N
XLogP5.80
TPSA233.63 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500703.74
LogP ≤ 55.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole with MolForge

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Related Compounds

7-(1H-benzimidazol-2-yl)-6-(1H-benzotriazol-4-yl)-2-isoquinolin-1-yl-4-(7H-purin-2-yl)-3-quinolin-2-yl-1,5-naphthyridine
CID 141329829
3-(1H-indazol-3-yl)-6-indolizin-1-yl-4-(1H-indol-2-yl)-5-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-7-thiophen-2-ylisoquinoline
CID 140971019
2-[7-(1H-indazol-3-yl)-6-(1H-indol-2-yl)-4-isoquinolin-1-yl-8-(7H-purin-2-yl)-4-pyridin-2-yl-1-quinolin-2-yl-3H-phthalazin-5-yl]-1,3-benzothiazole
CID 141196526
3-[6-(1,5-naphthyridin-2-yl)-2-(7H-purin-2-yl)-4-(1,2-thiazol-3-yl)-7-(1,3-thiazol-2-yl)quinazolin-5-yl]-1,2-oxazole
CID 141069864
2-(1H-indazol-3-yl)quinazoline
CID 154276744
4-quinoxalin-2-yl-2,5-dihydropyridazino[4,5-b]indol-1-one
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4-(1H-indol-3-yl)-2H-phthalazin-1-one
CID 135533216
2-(furan-2-yl)-7H-purine
CID 69436374
2-[4-(3H-benzimidazol-5-yl)phenyl]-7H-purine
CID 89475023
3-(4-fluoranthen-3-ylphenyl)-1H-indazole
CID 148930658
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CID 67417996
2-(1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridine
CID 135820355

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole?
The IUPAC name of 3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole (CID 141175822) is 3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole.
What is the SMILES notation for 3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole?
The canonical SMILES for 3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole is c1ccc2c(-c3c(-c4ncsn4)c(-c4ccsn4)c(-c4ncc5[nH]cnc5n4)c4[nH]c5ccc(-c6c[nH]nn6)c(-c6nnn[nH]6)c5c34)n[nH]c2c1.
What is the InChIKey of 3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole?
The InChIKey is HSWVRDBJOXPNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17N17S2/c1-2-4-15-14(3-1)27(42-40-15)24-23-21-16(6-5-13(18-10-37-47-41-18)20(21)32-43-48-49-44-32)38-28(23)26(30-33-9-19-29(39-30)35-11-34-19)22(17-7-8-50-45-17)25(24)31-36-12-51-46-31/h1-12,38H,(H,40,42)(H,37,41,47)(H,33,34,35,39)(H,43,44,48,49).
What are the key properties of 3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole?
3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole has a molecular weight of 703.74 g/mol, XLogP of 5.80, 6 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1H-indazol-3-yl)-1-(7H-purin-2-yl)-5-(1H-tetrazol-5-yl)-2-(1,2-thiazol-3-yl)-6-(1H-triazol-4-yl)-9H-carbazol-3-yl]-1,2,4-thiadiazole is sourced from PubChem (CID 141175822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).