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

C33H23F4N13O2 — CID 159591993

IUPAC3-(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
SMILESCC(c1ccc(C(F)(F)F)cc1)n1nnc2c(-c3ccco3)nc(N)nc21.Nc1nc(-c2ccco2)c2nnn(-c3cc4cc[nH]c4cc3F)c2n1
InChIInChI=1S/C17H13F3N6O.C16H10FN7O/c1-9(10-4-6-11(7-5-10)17(18,19)20)26-15-14(24-25-26)13(22-16(21)23-15)12-3-2-8-27-12;17-9-7-10-8(3-4-19-10)6-11(9)24-15-14(22-23-24)13(20-16(18)21-15)12-2-1-5-25-12/h2-9H,1H3,(H2,21,22,23);1-7,19H,(H2,18,20,21)
InChIKeyMKIZQOYOSWFDDZ-UHFFFAOYSA-N
MW709.63 g/mol
LogP6.36
Rot. Bonds5

About 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

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 (PubChem CID 159591993) has the molecular formula C33H23F4N13O2 and a molecular weight of 709.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID159591993
Molecular FormulaC33H23F4N13O2
Molecular Weight709.63 g/mol
Exact Mass709.20
IUPAC Name3-(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
SMILESCC(c1ccc(C(F)(F)F)cc1)n1nnc2c(-c3ccco3)nc(N)nc21.Nc1nc(-c2ccco2)c2nnn(-c3cc4cc[nH]c4cc3F)c2n1
InChIInChI=1S/C17H13F3N6O.C16H10FN7O/c1-9(10-4-6-11(7-5-10)17(18,19)20)26-15-14(24-25-26)13(22-16(21)23-15)12-3-2-8-27-12;17-9-7-10-8(3-4-19-10)6-11(9)24-15-14(22-23-24)13(20-16(18)21-15)12-2-1-5-25-12/h2-9H,1H3,(H2,21,22,23);1-7,19H,(H2,18,20,21)
InChIKeyMKIZQOYOSWFDDZ-UHFFFAOYSA-N
XLogP6.36
TPSA207.09 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500709.63
LogP ≤ 56.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

3-((S)-2-amino-3-(1H-indol-3-yl)propoxy)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-2-amine
CID 25190977
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carbonitrile
CID 46226137
3-((2S)-2-amino-3-(2-amino-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propyl)-1H-indole-2-carboxamide
CID 46226156
(2S)-1-(1H-indol-3-yl)-3-(5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)-6-(2-methylfuran-3-yl)pyridin-3-yloxy)propan-2-amine
CID 46226417
N-[1-(1-adamantyl)-1H-pyrazol-4-yl]-5-(2-furyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2976134
7-(2-Furyl)-3-(5-indolylmethyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine-5-amine
CID 21874675
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [1-(4-fluoro-benzyl)-1H-pyrazol-4-yl]-amide
CID 654644
(S)-1-(6-(furan-3-yl)-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46190876
(S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine
CID 46226096
ethyl (2R)-2-[[4-(furan-2-yl)-11-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-7-yl]amino]-3-(1H-indol-2-yl)propanoate
CID 162657755
US11352354, Example V-c-62
CID 146621571
US11352354, Example V-c-52
CID 146621839

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(c1ccc(C(F)(F)F)cc1)n1nnc2c(-c3ccco3)nc(N)nc21.Nc1nc(-c2ccco2)c2nnn(-c3cc4cc[nH]c4cc3F)c2n1.
What is the InChIKey of 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?
The InChIKey is MKIZQOYOSWFDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O.C16H10FN7O/c1-9(10-4-6-11(7-5-10)17(18,19)20)26-15-14(24-25-26)13(22-16(21)23-15)12-3-2-8-27-12;17-9-7-10-8(3-4-19-10)6-11(9)24-15-14(22-23-24)13(20-16(18)21-15)12-2-1-5-25-12/h2-9H,1H3,(H2,21,22,23);1-7,19H,(H2,18,20,21).
What are the key properties of 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?
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 has a molecular weight of 709.63 g/mol, XLogP of 6.36, 5 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159591993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).