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

C24H27N5O — CID 154639975

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C[C@H]5CCCN5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C24H27N5O/c1-14(2)22-19-12-17(24-29-28-21(30-24)13-18-5-4-9-26-18)6-7-20(19)27-23(22)16-8-10-25-15(3)11-16/h6-8,10-12,14,18,26-27H,4-5,9,13H2,1-3H3/t18-/m1/s1
InChIKeyUSDCRPHYHZWOQH-GOSISDBHSA-N
MW401.51 g/mol
LogP5.01
Rot. Bonds5

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

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4-oxadiazole (PubChem CID 154639975) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4-oxadiazole
PubChem CID154639975
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(C[C@H]5CCCN5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C24H27N5O/c1-14(2)22-19-12-17(24-29-28-21(30-24)13-18-5-4-9-26-18)6-7-20(19)27-23(22)16-8-10-25-15(3)11-16/h6-8,10-12,14,18,26-27H,4-5,9,13H2,1-3H3/t18-/m1/s1
InChIKeyUSDCRPHYHZWOQH-GOSISDBHSA-N
XLogP5.01
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methyl]-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
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-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 60202646
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-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554728
5-[3-(6-cyclopropylpyrazin-2-yl)-1H-indol-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 66554730
5-[3-[4-(2-methylpiperidin-1-yl)pyrimidin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66554904
5-[3-[6-(cyclopentylamino)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66555074
5-[3-[6-(2-methylpiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine
CID 66555076

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4-oxadiazole (CID 154639975) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methyl]-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-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc(C[C@H]5CCCN5)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-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4-oxadiazole?
The InChIKey is USDCRPHYHZWOQH-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27N5O/c1-14(2)22-19-12-17(24-29-28-21(30-24)13-18-5-4-9-26-18)6-7-20(19)27-23(22)16-8-10-25-15(3)11-16/h6-8,10-12,14,18,26-27H,4-5,9,13H2,1-3H3/t18-/m1/s1.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4-oxadiazole?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4-oxadiazole has a molecular weight of 401.51 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 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-[[(2R)-pyrrolidin-2-yl]methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 154639975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).