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

C22H18N4O2 — CID 78322716

IUPAC4-(8-methoxy-1-pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccnc3)c12
InChIInChI=1S/C22H18N4O2/c1-12-20(13(2)28-26-12)16-9-18-15(10-19(16)27-3)21-17(25-18)6-8-24-22(21)14-5-4-7-23-11-14/h4-11,25H,1-3H3
InChIKeyTVTBZUIZBVDDKA-UHFFFAOYSA-N
MW370.41 g/mol
LogP5.06
Rot. Bonds3

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

4-(8-methoxy-1-pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 78322716) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-(8-methoxy-1-pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(8-methoxy-1-pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID78322716
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name4-(8-methoxy-1-pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole
SMILESCOc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccnc3)c12
InChIInChI=1S/C22H18N4O2/c1-12-20(13(2)28-26-12)16-9-18-15(10-19(16)27-3)21-17(25-18)6-8-24-22(21)14-5-4-7-23-11-14/h4-11,25H,1-3H3
InChIKeyTVTBZUIZBVDDKA-UHFFFAOYSA-N
XLogP5.06
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxy-1-pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(8-methoxy-1-pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole (CID 78322716) is 4-(8-methoxy-1-pyridin-3-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-pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(8-methoxy-1-pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(-c3cccnc3)c12.
What is the InChIKey of 4-(8-methoxy-1-pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is TVTBZUIZBVDDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-12-20(13(2)28-26-12)16-9-18-15(10-19(16)27-3)21-17(25-18)6-8-24-22(21)14-5-4-7-23-11-14/h4-11,25H,1-3H3.
What are the key properties of 4-(8-methoxy-1-pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole?
4-(8-methoxy-1-pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 370.41 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxy-1-pyridin-3-yl-5H-pyrido[4,3-b]indol-7-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 78322716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).