2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole

C24H28N6O — CID 154640108

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CN5CCNCC5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C24H28N6O/c1-15(2)22-19-13-18(24-29-28-21(31-24)14-30-10-8-25-9-11-30)4-5-20(19)27-23(22)17-6-7-26-16(3)12-17/h4-7,12-13,15,25,27H,8-11,14H2,1-3H3
InChIKeyILOCGYNOILNWHE-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.12
Rot. Bonds5

About 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole (PubChem CID 154640108) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
PubChem CID154640108
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CN5CCNCC5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C24H28N6O/c1-15(2)22-19-13-18(24-29-28-21(31-24)14-30-10-8-25-9-11-30)4-5-20(19)27-23(22)17-6-7-26-16(3)12-17/h4-7,12-13,15,25,27H,8-11,14H2,1-3H3
InChIKeyILOCGYNOILNWHE-UHFFFAOYSA-N
XLogP4.12
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

Methyl 5-[(4-methyl-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-6-carbonyl)amino]pyridine-2-carboxylate
CID 44143525
N,N-dimethyl-2-[5-(5-methyl-1,3-oxazol-2-yl)-1H-indol-3-yl]ethanamine
CID 10445796
1,2-Bis(9H-beta-carboline-3-carboxylic acid tert-butyl ester)ethyne
CID 11512410
3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid methyl ester
CID 19936446
ethyl 5-{1-methyl-3-[(pyridin-4-ylmethyl)carbamoyl]-1H-pyrazol-5-yl}-1H-indole-2-carboxylate
CID 45377564
ethyl 5-{5-methyl-2-[(pyridin-4-ylmethyl)carbamoyl]pyridin-4-yl}-1H-indole-2-carboxylate
CID 45377565
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
2-(1H-indol-3-yl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 135908466
5-[3-[6-(cyclopropylmethylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554555
5-[3-[6-(propan-2-ylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554557
5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 66554730

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole (CID 154640108) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc(CN5CCNCC5)o4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is ILOCGYNOILNWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-15(2)22-19-13-18(24-29-28-21(31-24)14-30-10-8-25-9-11-30)4-5-20(19)27-23(22)17-6-7-26-16(3)12-17/h4-7,12-13,15,25,27H,8-11,14H2,1-3H3.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 416.53 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 154640108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).