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

C42H42ClN9O4 — CID 160854452

About 4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane

4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane (PubChem CID 160854452) has the molecular formula C42H42ClN9O4 and a molecular weight of 772.31 g/mol. Its IUPAC name is 4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane.

Molecular Properties

• Compound Name: 4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane
• PubChem CID: 160854452
• Molecular Formula: C42H42ClN9O4
• Molecular Weight: 772.31 g/mol
• Exact Mass: 771.30
• IUPAC Name: 4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane
• SMILES: C.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1cncc(Cl)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1cncc(Nc3cc(C4CC4)nn3C)c12
• InChI: InChI=1S/C24H24N6O2.C17H14ClN3O2.CH4/c1-12-23(13(2)32-29-12)16-7-18-15(8-21(16)31-4)24-19(26-18)10-25-11-20(24)27-22-9-17(14-5-6-14)28-30(22)3;1-8-16(9(2)23-21-8)11-4-13-10(5-15(11)22-3)17-12(18)6-19-7-14(17)20-13;/h7-11,14,26-27H,5-6H2,1-4H3;4-7,20H,1-3H3;1H4
• InChIKey: SJRNFIHSECWGDK-UHFFFAOYSA-N
• XLogP: 10.64
• TPSA: 157.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	772.31
LogP ≤ 5	10.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane?

The IUPAC name of 4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane (CID 160854452) is 4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane.

What is the SMILES notation for 4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane?

The canonical SMILES for 4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane is C.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1cncc(Cl)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1cncc(Nc3cc(C4CC4)nn3C)c12.

What is the InChIKey of 4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane?

The InChIKey is SJRNFIHSECWGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2.C17H14ClN3O2.CH4/c1-12-23(13(2)32-29-12)16-7-18-15(8-21(16)31-4)24-19(26-18)10-25-11-20(24)27-22-9-17(14-5-6-14)28-30(22)3;1-8-16(9(2)23-21-8)11-4-13-10(5-15(11)22-3)17-12(18)6-19-7-14(17)20-13;/h7-11,14,26-27H,5-6H2,1-4H3;4-7,20H,1-3H3;1H4.

What are the key properties of 4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane?

4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane has a molecular weight of 772.31 g/mol, XLogP of 10.64, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-chloro-6-methoxy-9H-pyrido[3,4-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole;N-(3-cyclopropyl-1-methylpyrazol-5-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrido[3,4-b]indol-4-amine;methane is sourced from PubChem (CID 160854452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).