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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane

C50H56ClN13O4S13 — CID 159105912

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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane

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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane (PubChem CID 159105912) has the molecular formula C50H56ClN13O4S13 and a molecular weight of 1355.41 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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane.

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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane
• PubChem CID: 159105912
• Molecular Formula: C50H56ClN13O4S13
• Molecular Weight: 1355.41 g/mol
• Exact Mass: 1353.06
• 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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane
• SMILES: C.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cc3c(C)cnn3C3CC3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cl)c12.Cc1cnn(C2CC2)c1N.S=S=S=S=S=S=S=S=S=S=S=S=S
• InChI: InChI=1S/C25H26N6O2.C17H15ClN4O2.C7H11N3.CH4.S13/c1-12-11-26-31(16-6-7-16)21(12)10-20-24-17-9-22(32-5)18(23-13(2)30-33-14(23)3)8-19(17)29-25(24)28-15(4)27-20;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;1-5-4-9-10(7(5)8)6-2-3-6;;1-3-5-7-9-11-13-12-10-8-6-4-2/h8-9,11,16H,6-7,10H2,1-5H3,(H,27,28,29);5-6H,1-4H3,(H,19,20,21);4,6H,2-3,8H2,1H3;1H4
• InChIKey: KDWOUKWWRCKAFB-UHFFFAOYSA-N
• XLogP: 11.20
• 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	1355.41
LogP ≤ 5	11.20
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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane?

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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane (CID 159105912) 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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane.

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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane?

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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane is C.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cc3c(C)cnn3C3CC3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(Cl)c12.Cc1cnn(C2CC2)c1N.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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane?

The InChIKey is KDWOUKWWRCKAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2.C17H15ClN4O2.C7H11N3.CH4.S13/c1-12-11-26-31(16-6-7-16)21(12)10-20-24-17-9-22(32-5)18(23-13(2)30-33-14(23)3)8-19(17)29-25(24)28-15(4)27-20;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;1-5-4-9-10(7(5)8)6-2-3-6;;1-3-5-7-9-11-13-12-10-8-6-4-2/h8-9,11,16H,6-7,10H2,1-5H3,(H,27,28,29);5-6H,1-4H3,(H,19,20,21);4,6H,2-3,8H2,1H3;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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane?

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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane has a molecular weight of 1355.41 g/mol, XLogP of 11.20, 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;1-cyclopropyl-4-methylpyrazol-5-amine;4-[4-[(1-cyclopropyl-4-methylpyrazol-5-yl)methyl]-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;methane is sourced from PubChem (CID 159105912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).