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

C20H20N4O — CID 166630793

IUPAC2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(C(C)C)o1
InChIInChI=1S/C20H20N4O/c1-10(2)19-23-24-20(25-19)15-9-16-14-6-4-5-13(12-7-8-12)17(14)22-18(16)21-11(15)3/h4-6,9-10,12H,7-8H2,1-3H3,(H,21,22)
InChIKeyRRFJREZCKIANGM-UHFFFAOYSA-N
MW332.41 g/mol
LogP5.08
Rot. Bonds3

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

2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 166630793) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID166630793
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(C(C)C)o1
InChIInChI=1S/C20H20N4O/c1-10(2)19-23-24-20(25-19)15-9-16-14-6-4-5-13(12-7-8-12)17(14)22-18(16)21-11(15)3/h4-6,9-10,12H,7-8H2,1-3H3,(H,21,22)
InChIKeyRRFJREZCKIANGM-UHFFFAOYSA-N
XLogP5.08
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-2-yl-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-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-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-2-yl-1,3,4-oxadiazole (CID 166630793) is 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-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-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-2-yl-1,3,4-oxadiazole is Cc1nc2[nH]c3c(C4CC4)cccc3c2cc1-c1nnc(C(C)C)o1.
What is the InChIKey of 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is RRFJREZCKIANGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-10(2)19-23-24-20(25-19)15-9-16-14-6-4-5-13(12-7-8-12)17(14)22-18(16)21-11(15)3/h4-6,9-10,12H,7-8H2,1-3H3,(H,21,22).
What are the key properties of 2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(8-cyclopropyl-2-methyl-9H-pyrido[2,3-b]indol-3-yl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 332.41 g/mol, XLogP of 5.08, 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-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 166630793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).