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

C21H19N5O2 — CID 78323351

IUPAC4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C)c12
InChIInChI=1S/C21H19N5O2/c1-10-15(9-23-25-10)21-20-13-8-18(27-4)14(19-11(2)26-28-12(19)3)7-17(13)24-16(20)5-6-22-21/h5-9,24H,1-4H3,(H,23,25)
InChIKeyAMCSQWMSQHEXAK-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.70
Rot. Bonds3

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

4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 78323351) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID78323351
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C)c12
InChIInChI=1S/C21H19N5O2/c1-10-15(9-23-25-10)21-20-13-8-18(27-4)14(19-11(2)26-28-12(19)3)7-17(13)24-16(20)5-6-22-21/h5-9,24H,1-4H3,(H,23,25)
InChIKeyAMCSQWMSQHEXAK-UHFFFAOYSA-N
XLogP4.70
TPSA92.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole (CID 78323351) is 4-[8-methoxy-1-(5-methyl-1H-pyrazol-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-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cn[nH]c3C)c12.
What is the InChIKey of 4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is AMCSQWMSQHEXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-10-15(9-23-25-10)21-20-13-8-18(27-4)14(19-11(2)26-28-12(19)3)7-17(13)24-16(20)5-6-22-21/h5-9,24H,1-4H3,(H,23,25).
What are the key properties of 4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole?
4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 373.42 g/mol, XLogP of 4.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-methoxy-1-(5-methyl-1H-pyrazol-4-yl)-5H-pyrido[4,3-b]indol-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 78323351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).