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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-amine

C50H60ClN13O4S13 — CID 157092280

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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-amine (PubChem CID 157092280) has the molecular formula C50H60ClN13O4S13 and a molecular weight of 1359.44 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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-amine
• PubChem CID: 157092280
• Molecular Formula: C50H60ClN13O4S13
• Molecular Weight: 1359.44 g/mol
• Exact Mass: 1357.09
• 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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-amine
• SMILES: C.CC(C)c1nn(C)cc1N.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cc3cn(C)nc3C(C)C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cl)c12.S=S=S=S=S=S=S=S=S=S=S=S=S
• InChI: InChI=1S/C25H28N6O2.C17H15ClN4O2.C7H13N3.CH4.S13/c1-12(2)24-16(11-31(6)29-24)8-20-23-17-10-21(32-7)18(22-13(3)30-33-14(22)4)9-19(17)28-25(23)27-15(5)26-20;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;1-5(2)7-6(8)4-10(3)9-7;;1-3-5-7-9-11-13-12-10-8-6-4-2/h9-12H,8H2,1-7H3,(H,26,27,28);5-6H,1-4H3,(H,19,20,21);4-5H,8H2,1-3H3;1H4
• InChIKey: AEULRQLOFIOYAP-UHFFFAOYSA-N
• XLogP: 11.23
• TPSA: 215.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 8
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1359.44
LogP ≤ 5	11.23
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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-amine (CID 157092280) 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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-amine is C.CC(C)c1nn(C)cc1N.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cc3cn(C)nc3C(C)C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cl)c12.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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-amine?

The InChIKey is AEULRQLOFIOYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2.C17H15ClN4O2.C7H13N3.CH4.S13/c1-12(2)24-16(11-31(6)29-24)8-20-23-17-10-21(32-7)18(22-13(3)30-33-14(22)4)9-19(17)28-25(23)27-15(5)26-20;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;1-5(2)7-6(8)4-10(3)9-7;;1-3-5-7-9-11-13-12-10-8-6-4-2/h9-12H,8H2,1-7H3,(H,26,27,28);5-6H,1-4H3,(H,19,20,21);4-5H,8H2,1-3H3;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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-amine has a molecular weight of 1359.44 g/mol, XLogP of 11.23, 8 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-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 157092280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).