3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole

C36H25N15O2 — CID 141027042

IUPAC3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole
SMILESc1cnc(N2C(c3ccon3)C(c3ncc4[nH]cnc4n3)(c3ccco3)N(c3ccc[nH]3)C2(c2ncc3[nH]cnc3n2)c2cc3ccccc3[nH]2)nc1
InChIInChI=1S/C36H25N15O2/c1-2-7-22-21(6-1)16-26(46-22)36(33-41-18-25-31(48-33)45-20-43-25)50(34-38-12-5-13-39-34)29(23-10-15-53-49-23)35(27-8-4-14-52-27,51(36)28-9-3-11-37-28)32-40-17-24-30(47-32)44-19-42-24/h1-20,29,37,46H,(H,40,42,44,47)(H,41,43,45,48)
InChIKeyDQQKXLSBOLVZDQ-UHFFFAOYSA-N
MW699.70 g/mol
LogP5.11
Rot. Bonds7

About 3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole

3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole (PubChem CID 141027042) has the molecular formula C36H25N15O2 and a molecular weight of 699.70 g/mol. Its IUPAC name is 3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole
PubChem CID141027042
Molecular FormulaC36H25N15O2
Molecular Weight699.70 g/mol
Exact Mass699.23
IUPAC Name3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole
SMILESc1cnc(N2C(c3ccon3)C(c3ncc4[nH]cnc4n3)(c3ccco3)N(c3ccc[nH]3)C2(c2ncc3[nH]cnc3n2)c2cc3ccccc3[nH]2)nc1
InChIInChI=1S/C36H25N15O2/c1-2-7-22-21(6-1)16-26(46-22)36(33-41-18-25-31(48-33)45-20-43-25)50(34-38-12-5-13-39-34)29(23-10-15-53-49-23)35(27-8-4-14-52-27,51(36)28-9-3-11-37-28)32-40-17-24-30(47-32)44-19-42-24/h1-20,29,37,46H,(H,40,42,44,47)(H,41,43,45,48)
InChIKeyDQQKXLSBOLVZDQ-UHFFFAOYSA-N
XLogP5.11
TPSA211.93 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500699.70
LogP ≤ 55.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole with MolForge

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Launch Full Analysis

Related Compounds

5-[(6S)-5-(1-benzofuran-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 26744744
5-[[2-(2,3-difluorophenyl)-3H-imidazo[4,5-c]pyridin-5-ium-5-yl]methyl]-3-(furan-2-yl)-1,2-oxazole
CID 91302359
N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145032836
5-[3-[4-[5-[5-(1-azabicyclo[4.1.0]hepta-2,4-dien-3-yl)-4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-c]pyridin-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 145033221
3-(6-fluoro-1H-indol-5-yl)-7-(furan-2-yl)triazolo[4,5-d]pyrimidin-5-amine;7-(furan-2-yl)-3-[1-[4-(trifluoromethyl)phenyl]ethyl]triazolo[4,5-d]pyrimidin-5-amine
CID 159591993
N-(furan-2-ylmethyl)-5H-cyclopenta[d]pyrimidin-4-amine;N-(furan-2-ylmethyl)-9-methylpurin-6-amine;6-N-(furan-2-ylmethyl)-2-N-methyl-7H-purine-2,6-diamine;N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7H-purin-6-amine;N-[2-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 159984627
N-[[3-fluoro-4-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]phenyl]methyl]-2-[2-(furan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridin-7-amine
CID 177305460
[2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 53549899
[(2R)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 95156903
[(2S)-2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]piperidin-1-yl]-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-4-yl]methanone
CID 95156904
7-(furan-2-yl)-3-(1H-indol-7-ylmethyl)triazolo[4,5-d]pyrimidin-5-amine
CID 9902076
3-(2-Furyl)-2-pyridin-4-yl-5H-pyrrolo[2,3-b]pyrazine
CID 16070834

Frequently Asked Questions

What is the IUPAC name of 3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole?
The IUPAC name of 3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole (CID 141027042) is 3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole?
The canonical SMILES for 3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole is c1cnc(N2C(c3ccon3)C(c3ncc4[nH]cnc4n3)(c3ccco3)N(c3ccc[nH]3)C2(c2ncc3[nH]cnc3n2)c2cc3ccccc3[nH]2)nc1.
What is the InChIKey of 3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole?
The InChIKey is DQQKXLSBOLVZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N15O2/c1-2-7-22-21(6-1)16-26(46-22)36(33-41-18-25-31(48-33)45-20-43-25)50(34-38-12-5-13-39-34)29(23-10-15-53-49-23)35(27-8-4-14-52-27,51(36)28-9-3-11-37-28)32-40-17-24-30(47-32)44-19-42-24/h1-20,29,37,46H,(H,40,42,44,47)(H,41,43,45,48).
What are the key properties of 3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole?
3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole has a molecular weight of 699.70 g/mol, XLogP of 5.11, 7 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-2-yl)-2-(1H-indol-2-yl)-2,5-bis(7H-purin-2-yl)-3-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)imidazolidin-4-yl]-1,2-oxazole is sourced from PubChem (CID 141027042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).