1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol

C99H84ClF3N24O13S6 — CID 162115071

About 1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol

1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol (PubChem CID 162115071) has the molecular formula C99H84ClF3N24O13S6 and a molecular weight of 2102.76 g/mol. Its IUPAC name is 1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol.

Molecular Properties

• Compound Name: 1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol
• PubChem CID: 162115071
• Molecular Formula: C99H84ClF3N24O13S6
• Molecular Weight: 2102.76 g/mol
• Exact Mass: 2100.46
• IUPAC Name: 1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol
• SMILES: C=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(C(F)(F)F)nc3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(OC)nc3)o2)n1.CC(=O)CSC1=NN=C(c2ccc(Cn3c4ccccc4c4ccccc43)o2)C1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc(Cl)nc3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc4c3ccn4C)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccnc(N)c3)o2)n1
• InChI: InChI=1S/C23H19N3O2S.C18H16N4O2S.C15H11F3N4O2S.C15H14N4O3S.C14H11ClN4O2S.C14H13N5O2S/c1-15(27)14-29-23-12-19(24-25-23)22-11-10-16(28-22)13-26-20-8-4-2-6-17(20)18-7-3-5-9-21(18)26;1-11(23)10-25-18-19-17(20-21-18)16-7-6-15(24-16)13-4-3-5-14-12(13)8-9-22(14)2;1-8(23)7-25-14-20-13(21-22-14)11-4-3-10(24-11)9-2-5-12(19-6-9)15(16,17)18;1-9(20)8-23-15-17-14(18-19-15)12-5-4-11(22-12)10-3-6-13(21-2)16-7-10;1-8(20)7-22-14-17-13(18-19-14)11-4-3-10(21-11)9-2-5-12(15)16-6-9;1-8(20)7-22-14-17-13(18-19-14)11-3-2-10(21-11)9-4-5-16-12(15)6-9/h2-11H,12-14H2,1H3;3-9H,10H2,1-2H3,(H,19,20,21);2-6,23H,1,7H2,(H,20,21,22);3-7,20H,1,8H2,2H3,(H,17,18,19);2-6H,7H2,1H3,(H,17,18,19);2-6H,7H2,1H3,(H2,15,16)(H,17,18,19)
• InChIKey: ZGQSADIPOZWHQF-UHFFFAOYSA-N
• XLogP: 22.63
• TPSA: 516.82 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2102.76
LogP ≤ 5	22.63
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol?

The IUPAC name of 1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol (CID 162115071) is 1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol.

What is the SMILES notation for 1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol?

The canonical SMILES for 1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol is C=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(C(F)(F)F)nc3)o2)n1.C=C(O)CSc1n[nH]c(-c2ccc(-c3ccc(OC)nc3)o2)n1.CC(=O)CSC1=NN=C(c2ccc(Cn3c4ccccc4c4ccccc43)o2)C1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccc(Cl)nc3)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3cccc4c3ccn4C)o2)n1.CC(=O)CSc1n[nH]c(-c2ccc(-c3ccnc(N)c3)o2)n1.

What is the InChIKey of 1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol?

The InChIKey is ZGQSADIPOZWHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S.C18H16N4O2S.C15H11F3N4O2S.C15H14N4O3S.C14H11ClN4O2S.C14H13N5O2S/c1-15(27)14-29-23-12-19(24-25-23)22-11-10-16(28-22)13-26-20-8-4-2-6-17(20)18-7-3-5-9-21(18)26;1-11(23)10-25-18-19-17(20-21-18)16-7-6-15(24-16)13-4-3-5-14-12(13)8-9-22(14)2;1-8(23)7-25-14-20-13(21-22-14)11-4-3-10(24-11)9-2-5-12(19-6-9)15(16,17)18;1-9(20)8-23-15-17-14(18-19-15)12-5-4-11(22-12)10-3-6-13(21-2)16-7-10;1-8(20)7-22-14-17-13(18-19-14)11-4-3-10(21-11)9-2-5-12(15)16-6-9;1-8(20)7-22-14-17-13(18-19-14)11-3-2-10(21-11)9-4-5-16-12(15)6-9/h2-11H,12-14H2,1H3;3-9H,10H2,1-2H3,(H,19,20,21);2-6,23H,1,7H2,(H,20,21,22);3-7,20H,1,8H2,2H3,(H,17,18,19);2-6H,7H2,1H3,(H,17,18,19);2-6H,7H2,1H3,(H2,15,16)(H,17,18,19).

What are the key properties of 1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol?

1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol has a molecular weight of 2102.76 g/mol, XLogP of 22.63, 31 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-[5-(2-amino-4-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(carbazol-9-ylmethyl)furan-2-yl]-4H-pyrazol-3-yl]sulfanyl]propan-2-one;1-[[5-[5-(6-chloro-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-(6-methoxy-3-pyridinyl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol;1-[[5-[5-(1-methylindol-4-yl)furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]propan-2-one;3-[[5-[5-[6-(trifluoromethyl)-3-pyridinyl]furan-2-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]prop-1-en-2-ol is sourced from PubChem (CID 162115071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).