4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C100H96N20O8 — CID 158026085

About 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158026085) has the molecular formula C100H96N20O8 and a molecular weight of 1706.00 g/mol. Its IUPAC name is 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 158026085
• Molecular Formula: C100H96N20O8
• Molecular Weight: 1706.00 g/mol
• Exact Mass: 1704.77
• IUPAC Name: 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(-c4ccccc4)n[nH]c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C3CC3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C4CC4)nn(C)c3C)c12
• InChI: InChI=1S/C27H23N5O2.2C25H25N5O2.C23H23N5O2/c1-14-24(26(31-30-14)17-8-6-5-7-9-17)27-25-18-13-22(33-4)19(23-15(2)32-34-16(23)3)12-21(18)29-20(25)10-11-28-27;1-12-22(25(15-6-7-15)30(4)28-12)24-23-16-11-20(31-5)17(21-13(2)29-32-14(21)3)10-19(16)27-18(23)8-9-26-24;1-12-21(14(3)32-29-12)17-10-19-16(11-20(17)31-5)23-18(27-19)8-9-26-25(23)22-13(2)30(4)28-24(22)15-6-7-15;1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h5-13,29H,1-4H3,(H,30,31);2*8-11,15,27H,6-7H2,1-5H3;7-10,25H,1-6H3
• InChIKey: FGPUXHVXSHUYQJ-UHFFFAOYSA-N
• XLogP: 22.54
• TPSA: 337.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 15
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1706.00
LogP ≤ 5	22.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 158026085) is 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(-c4ccccc4)n[nH]c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C3CC3)c12.COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C4CC4)nn(C)c3C)c12.

What is the InChIKey of 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is FGPUXHVXSHUYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2.2C25H25N5O2.C23H23N5O2/c1-14-24(26(31-30-14)17-8-6-5-7-9-17)27-25-18-13-22(33-4)19(23-15(2)32-34-16(23)3)12-21(18)29-20(25)10-11-28-27;1-12-22(25(15-6-7-15)30(4)28-12)24-23-16-11-20(31-5)17(21-13(2)29-32-14(21)3)10-19(16)27-18(23)8-9-26-24;1-12-21(14(3)32-29-12)17-10-19-16(11-20(17)31-5)23-18(27-19)8-9-26-25(23)22-13(2)30(4)28-24(22)15-6-7-15;1-11-20(13(3)28(5)26-11)23-22-15-10-19(29-6)16(21-12(2)27-30-14(21)4)9-18(15)25-17(22)7-8-24-23/h5-13,29H,1-4H3,(H,30,31);2*8-11,15,27H,6-7H2,1-5H3;7-10,25H,1-6H3.

What are the key properties of 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?

4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1706.00 g/mol, XLogP of 22.54, 15 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(3-cyclopropyl-1,5-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-(5-cyclopropyl-1,3-dimethylpyrazol-4-yl)-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(5-methyl-3-phenyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole;4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158026085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).