5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

C22H23N5O — CID 19022976

IUPAC5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCN1CCC(c2c[nH]c3ccc(Cc4nc(-c5cccnc5)no4)cc23)CC1
InChIInChI=1S/C22H23N5O/c1-27-9-6-16(7-10-27)19-14-24-20-5-4-15(11-18(19)20)12-21-25-22(26-28-21)17-3-2-8-23-13-17/h2-5,8,11,13-14,16,24H,6-7,9-10,12H2,1H3
InChIKeyCPJCXLKXGGGLII-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.01
Rot. Bonds4

About 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 19022976) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID19022976
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCN1CCC(c2c[nH]c3ccc(Cc4nc(-c5cccnc5)no4)cc23)CC1
InChIInChI=1S/C22H23N5O/c1-27-9-6-16(7-10-27)19-14-24-20-5-4-15(11-18(19)20)12-21-25-22(26-28-21)17-3-2-8-23-13-17/h2-5,8,11,13-14,16,24H,6-7,9-10,12H2,1H3
InChIKeyCPJCXLKXGGGLII-UHFFFAOYSA-N
XLogP4.01
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 1105282
N-[2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethylsulfanyl]methanamine
CID 134534889
4-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]but-2-en-2-ol
CID 67754574
N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide
CID 4440
3-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-N-sulfanylperoxypropan-1-amine;hydrochloride
CID 159347443
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849658
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
CID 22611495
2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]-1H-benzimidazole
CID 12043258
3-(1-methylpiperidin-4-yl)-1H-indole-5-carboxamide
CID 19987271
N-methyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methanamine;dihydrochloride
CID 54592854
5-[[(1R)-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100675540
2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 92570901

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 19022976) is 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is CN1CCC(c2c[nH]c3ccc(Cc4nc(-c5cccnc5)no4)cc23)CC1.
What is the InChIKey of 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is CPJCXLKXGGGLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-27-9-6-16(7-10-27)19-14-24-20-5-4-15(11-18(19)20)12-21-25-22(26-28-21)17-3-2-8-23-13-17/h2-5,8,11,13-14,16,24H,6-7,9-10,12H2,1H3.
What are the key properties of 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 373.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]methyl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 19022976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).