2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole

C19H18N4O — CID 166629404

IUPAC2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cc3c(nc2C)[nH]c2c(C4CC4)cccc23)o1
InChIInChI=1S/C19H18N4O/c1-3-16-22-23-19(24-16)14-9-15-13-6-4-5-12(11-7-8-11)17(13)21-18(15)20-10(14)2/h4-6,9,11H,3,7-8H2,1-2H3,(H,20,21)
InChIKeyDXXZOFZXQIETTG-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.51
Rot. Bonds3

About 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole

2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole (PubChem CID 166629404) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole
PubChem CID166629404
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole
SMILESCCc1nnc(-c2cc3c(nc2C)[nH]c2c(C4CC4)cccc23)o1
InChIInChI=1S/C19H18N4O/c1-3-16-22-23-19(24-16)14-9-15-13-6-4-5-12(11-7-8-11)17(13)21-18(15)20-10(14)2/h4-6,9,11H,3,7-8H2,1-2H3,(H,20,21)
InChIKeyDXXZOFZXQIETTG-UHFFFAOYSA-N
XLogP4.51
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole with MolForge

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Related Compounds

N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554898
Pdhk-IN-3
CID 162624762
(3~{S})-3-[5-(8-cyclopropyl-2-methyl-9~{H}-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-4-methyl-~{N}-[(1~{R})-1-phenylethyl]pentanamide
CID 162624763
5-(1H-indol-5-yl)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 77106364
3-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(1H-indol-5-yl)-2-pyridinamine
CID 77106960
5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 60202646
5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554728
Pdhk-IN-5
CID 163409149
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-methyl-1,3,4-oxadiazole
CID 166627513
N-[1-[5-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-1,3,4-oxadiazol-2-yl]-2-methylpropyl]-3-phenylpropanamide
CID 166627668
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(2-methylpropyl)-1,3,4-oxadiazole
CID 166627865
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-2-yl-1,3,4-oxadiazole
CID 166630793

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole?
The IUPAC name of 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole (CID 166629404) is 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole is CCc1nnc(-c2cc3c(nc2C)[nH]c2c(C4CC4)cccc23)o1.
What is the InChIKey of 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole?
The InChIKey is DXXZOFZXQIETTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-3-16-22-23-19(24-16)14-9-15-13-6-4-5-12(11-7-8-11)17(13)21-18(15)20-10(14)2/h4-6,9,11H,3,7-8H2,1-2H3,(H,20,21).
What are the key properties of 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole?
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole has a molecular weight of 318.38 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-ethyl-1,3,4-oxadiazole is sourced from PubChem (CID 166629404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).