5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine

C43H28N12O2S2 — CID 141087207

IUPAC5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine
SMILESc1cnc(C2(c3sccc3-c3ncc4[nH]cnc4n3)N(c3ccc[nH]3)OC(c3cc4ccccc4[nH]3)(c3ncco3)C2(c2ccc3ccccc3n2)c2nccs2)nc1
InChIInChI=1S/C43H28N12O2S2/c1-3-9-29-26(7-1)12-13-32(52-29)41(40-48-19-22-59-40)42(38-45-16-6-17-46-38,35-28(14-21-58-35)36-49-24-31-37(54-36)51-25-50-31)55(34-11-5-15-44-34)57-43(41,39-47-18-20-56-39)33-23-27-8-2-4-10-30(27)53-33/h1-25,44,53H,(H,49,50,51,54)
InChIKeyYLTVXSJQWJKIJH-UHFFFAOYSA-N
MW808.91 g/mol
LogP8.30
Rot. Bonds8

About 5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine

5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine (PubChem CID 141087207) has the molecular formula C43H28N12O2S2 and a molecular weight of 808.91 g/mol. Its IUPAC name is 5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine.

Molecular Properties

Compound Name5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine
PubChem CID141087207
Molecular FormulaC43H28N12O2S2
Molecular Weight808.91 g/mol
Exact Mass808.19
IUPAC Name5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine
SMILESc1cnc(C2(c3sccc3-c3ncc4[nH]cnc4n3)N(c3ccc[nH]3)OC(c3cc4ccccc4[nH]3)(c3ncco3)C2(c2ccc3ccccc3n2)c2nccs2)nc1
InChIInChI=1S/C43H28N12O2S2/c1-3-9-29-26(7-1)12-13-32(52-29)41(40-48-19-22-59-40)42(38-45-16-6-17-46-38,35-28(14-21-58-35)36-49-24-31-37(54-36)51-25-50-31)55(34-11-5-15-44-34)57-43(41,39-47-18-20-56-39)33-23-27-8-2-4-10-30(27)53-33/h1-25,44,53H,(H,49,50,51,54)
InChIKeyYLTVXSJQWJKIJH-UHFFFAOYSA-N
XLogP8.30
TPSA176.10 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500808.91
LogP ≤ 58.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine with MolForge

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Launch Full Analysis

Related Compounds

5-(1H-imidazol-2-yl)-4-(1H-indol-2-yl)-3-(2H-isoindol-1-yl)-4-(1,3-oxazol-2-yl)-5-(thiadiazol-4-yl)-2-(1,3-thiazol-2-yl)oxadiazolidine
CID 141196740
4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene
CID 160485659
methane;4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;toluene
CID 160511021
4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;6-methyl-7H-purine;2-methylpyridine;4-methylpyridine;4-methylpyrimidine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-d]pyrimidine;4-methylthieno[3,2-d]pyrimidine;toluene
CID 161181740
4-methylfuro[2,3-b]pyridine;4-methylfuro[3,2-d]pyrimidine;7-methyl-1H-imidazo[4,5-b]pyridine;2-methylpyridine;4-methylpyridine;4-methyl-3H-pyrrolo[2,3-b]pyridine;4-methylquinoline;4-methylthieno[2,3-b]pyridine;4-methylthieno[3,2-d]pyrimidine;2-methyl-1,3,5-triazine;toluene
CID 161659292

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine?
The IUPAC name of 5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine (CID 141087207) is 5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine.
What is the SMILES notation for 5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine?
The canonical SMILES for 5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine is c1cnc(C2(c3sccc3-c3ncc4[nH]cnc4n3)N(c3ccc[nH]3)OC(c3cc4ccccc4[nH]3)(c3ncco3)C2(c2ccc3ccccc3n2)c2nccs2)nc1.
What is the InChIKey of 5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine?
The InChIKey is YLTVXSJQWJKIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N12O2S2/c1-3-9-29-26(7-1)12-13-32(52-29)41(40-48-19-22-59-40)42(38-45-16-6-17-46-38,35-28(14-21-58-35)36-49-24-31-37(54-36)51-25-50-31)55(34-11-5-15-44-34)57-43(41,39-47-18-20-56-39)33-23-27-8-2-4-10-30(27)53-33/h1-25,44,53H,(H,49,50,51,54).
What are the key properties of 5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine?
5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine has a molecular weight of 808.91 g/mol, XLogP of 8.30, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-2-yl)-5-(1,3-oxazol-2-yl)-3-[3-(7H-purin-2-yl)thiophen-2-yl]-3-pyrimidin-2-yl-2-(1H-pyrrol-2-yl)-4-quinolin-2-yl-4-(1,3-thiazol-2-yl)-1,2-oxazolidine is sourced from PubChem (CID 141087207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).