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

C22H24N4O — CID 166631152

IUPAC2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole
SMILESCc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(C(C)C(C)C)o1
InChIInChI=1S/C22H24N4O/c1-11(2)12(3)21-25-26-22(27-21)17-10-18-16-7-5-6-15(14-8-9-14)19(16)24-20(18)23-13(17)4/h5-7,10-12,14H,8-9H2,1-4H3,(H,23,24)
InChIKeyBXOOMWSWLIGVOJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.71
Rot. Bonds4

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

2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole (PubChem CID 166631152) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole
PubChem CID166631152
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole
SMILESCc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(C(C)C(C)C)o1
InChIInChI=1S/C22H24N4O/c1-11(2)12(3)21-25-26-22(27-21)17-10-18-16-7-5-6-15(14-8-9-14)19(16)24-20(18)23-13(17)4/h5-7,10-12,14H,8-9H2,1-4H3,(H,23,24)
InChIKeyBXOOMWSWLIGVOJ-UHFFFAOYSA-N
XLogP5.71
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

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-ethyl-1,3,4-oxadiazole
CID 166629404

Frequently Asked Questions

What is the IUPAC name of 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole (CID 166631152) is 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole is Cc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(C(C)C(C)C)o1.
What is the InChIKey of 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole?
The InChIKey is BXOOMWSWLIGVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-11(2)12(3)21-25-26-22(27-21)17-10-18-16-7-5-6-15(14-8-9-14)19(16)24-20(18)23-13(17)4/h5-7,10-12,14H,8-9H2,1-4H3,(H,23,24).
What are the key properties of 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole?
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole has a molecular weight of 360.46 g/mol, XLogP of 5.71, 4 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-(3-methylbutan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 166631152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).