bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine

C48H56ClN13O4S13 — CID 160701706

About bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine

bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine (PubChem CID 160701706) has the molecular formula C48H56ClN13O4S13 and a molecular weight of 1331.39 g/mol. Its IUPAC name is bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine.

Molecular Properties

• Compound Name: bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine
• PubChem CID: 160701706
• Molecular Formula: C48H56ClN13O4S13
• Molecular Weight: 1331.39 g/mol
• Exact Mass: 1329.06
• IUPAC Name: bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine
• SMILES: C.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cc3c(C)c(C)nn3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cl)c12.Cc1nn(C)c(N)c1C.S=S=S=S=S=S=S=S=S=S=S=S=S
• InChI: InChI=1S/C24H26N6O2.C17H15ClN4O2.C6H11N3.CH4.S13/c1-11-12(2)28-30(6)20(11)10-19-23-16-9-21(31-7)17(22-13(3)29-32-14(22)4)8-18(16)27-24(23)26-15(5)25-19;1-7-14(8(2)24-22-7)11-5-12-10(6-13(11)23-4)15-16(18)19-9(3)20-17(15)21-12;1-4-5(2)8-9(3)6(4)7;;1-3-5-7-9-11-13-12-10-8-6-4-2/h8-9H,10H2,1-7H3,(H,25,26,27);5-6H,1-4H3,(H,19,20,21);7H2,1-3H3;1H4
• InChIKey: RQRWFHHKHMHGTF-UHFFFAOYSA-N
• XLogP: 10.22
• TPSA: 215.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 6
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1331.39
LogP ≤ 5	10.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine?

The IUPAC name of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine (CID 160701706) is bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine.

What is the SMILES notation for bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine?

The canonical SMILES for bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine is C.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cc3c(C)c(C)nn3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cl)c12.Cc1nn(C)c(N)c1C.S=S=S=S=S=S=S=S=S=S=S=S=S.

What is the InChIKey of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine?

The InChIKey is RQRWFHHKHMHGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.C17H15ClN4O2.C6H11N3.CH4.S13/c1-11-12(2)28-30(6)20(11)10-19-23-16-9-21(31-7)17(22-13(3)29-32-14(22)4)8-18(16)27-24(23)26-15(5)25-19;1-7-14(8(2)24-22-7)11-5-12-10(6-13(11)23-4)15-16(18)19-9(3)20-17(15)21-12;1-4-5(2)8-9(3)6(4)7;;1-3-5-7-9-11-13-12-10-8-6-4-2/h8-9H,10H2,1-7H3,(H,25,26,27);5-6H,1-4H3,(H,19,20,21);7H2,1-3H3;1H4;.

What are the key properties of bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine?

bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine has a molecular weight of 1331.39 g/mol, XLogP of 10.22, 6 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;4-(4-chloro-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;methane;4-[6-methoxy-2-methyl-4-[(2,4,5-trimethylpyrazol-3-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;2,4,5-trimethylpyrazol-3-amine is sourced from PubChem (CID 160701706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).