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

C23H23N5O2 — CID 90388035

IUPAC4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c12
InChIInChI=1S/C23H23N5O2/c1-11-20(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/h7-10,25H,1-6H3
InChIKeySDJOVLUEILKTJF-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.01
Rot. Bonds3

About 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-[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 90388035) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 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 Name4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID90388035
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3c(C)nn(C)c3C)c12
InChIInChI=1S/C23H23N5O2/c1-11-20(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/h7-10,25H,1-6H3
InChIKeySDJOVLUEILKTJF-UHFFFAOYSA-N
XLogP5.01
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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-[8-methoxy-1-(1,3,5-trimethylpyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 90388035) is 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-[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-[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(C)nn(C)c3C)c12.
What is the InChIKey of 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 SDJOVLUEILKTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-11-20(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/h7-10,25H,1-6H3.
What are the key properties of 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-[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 401.47 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 90388035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).