4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

C49H37N9O4 — CID 129214096

IUPAC4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc4[nH]c(-n5c6cc(-c7c(C)noc7C)c(OC)cc6c6c(-c7cccc8[nH]ncc78)nccc65)cc4c3)c12
InChIInChI=1S/C49H37N9O4/c1-23-44(25(3)61-56-23)32-18-38-30(20-41(32)59-5)46-37(53-38)12-14-50-48(46)27-10-11-35-28(16-27)17-43(54-35)58-39-13-15-51-49(29-8-7-9-36-34(29)22-52-55-36)47(39)31-21-42(60-6)33(19-40(31)58)45-24(2)57-62-26(45)4/h7-22,53-54H,1-6H3,(H,52,55)
InChIKeyCWBRPDCUAXVFMM-UHFFFAOYSA-N
MW815.89 g/mol
LogP11.46
Rot. Bonds7

About 4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole

4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 129214096) has the molecular formula C49H37N9O4 and a molecular weight of 815.89 g/mol. Its IUPAC name is 4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID129214096
Molecular FormulaC49H37N9O4
Molecular Weight815.89 g/mol
Exact Mass815.30
IUPAC Name4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc4[nH]c(-n5c6cc(-c7c(C)noc7C)c(OC)cc6c6c(-c7cccc8[nH]ncc78)nccc65)cc4c3)c12
InChIInChI=1S/C49H37N9O4/c1-23-44(25(3)61-56-23)32-18-38-30(20-41(32)59-5)46-37(53-38)12-14-50-48(46)27-10-11-35-28(16-27)17-43(54-35)58-39-13-15-51-49(29-8-7-9-36-34(29)22-52-55-36)47(39)31-21-42(60-6)33(19-40(31)58)45-24(2)57-62-26(45)4/h7-22,53-54H,1-6H3,(H,52,55)
InChIKeyCWBRPDCUAXVFMM-UHFFFAOYSA-N
XLogP11.46
TPSA161.49 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.89
LogP ≤ 511.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 129214096) is 4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3ccc4[nH]c(-n5c6cc(-c7c(C)noc7C)c(OC)cc6c6c(-c7cccc8[nH]ncc78)nccc65)cc4c3)c12.
What is the InChIKey of 4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is CWBRPDCUAXVFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N9O4/c1-23-44(25(3)61-56-23)32-18-38-30(20-41(32)59-5)46-37(53-38)12-14-50-48(46)27-10-11-35-28(16-27)17-43(54-35)58-39-13-15-51-49(29-8-7-9-36-34(29)22-52-55-36)47(39)31-21-42(60-6)33(19-40(31)58)45-24(2)57-62-26(45)4/h7-22,53-54H,1-6H3,(H,52,55).
What are the key properties of 4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 815.89 g/mol, XLogP of 11.46, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(1H-indazol-4-yl)-8-methoxypyrido[4,3-b]indol-5-yl]-1H-indol-5-yl]-8-methoxy-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 129214096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).