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

C24H27N5O — CID 154640050

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc([C@H]5CCCNC5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C24H27N5O/c1-14(2)21-19-12-17(23-28-29-24(30-23)18-5-4-9-25-13-18)6-7-20(19)27-22(21)16-8-10-26-15(3)11-16/h6-8,10-12,14,18,25,27H,4-5,9,13H2,1-3H3/t18-/m0/s1
InChIKeyFNWPHRIZELTDGL-SFHVURJKSA-N
MW401.51 g/mol
LogP5.18
Rot. Bonds4

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

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 154640050) 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-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
PubChem CID154640050
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-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc([C@H]5CCCNC5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C24H27N5O/c1-14(2)21-19-12-17(23-28-29-24(30-23)18-5-4-9-25-13-18)6-7-20(19)27-22(21)16-8-10-26-15(3)11-16/h6-8,10-12,14,18,25,27H,4-5,9,13H2,1-3H3/t18-/m0/s1
InChIKeyFNWPHRIZELTDGL-SFHVURJKSA-N
XLogP5.18
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.51
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(3S)-piperidin-3-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
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 14810904
3-(5-Cyclopropyl-1,3,4-oxadiazol-2-yl)-5-(2,3-dihydro-1-methyl-1H-indol-5-yl)-2-pyridinamine
CID 77105954
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-[5-(methoxymethyl)-3-pyridinyl]-N-(oxan-4-ylmethyl)-1H-indazole-3-carboxamide
CID 146254726
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole (CID 154640050) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(3S)-piperidin-3-yl]-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-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc([C@H]5CCCNC5)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-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is FNWPHRIZELTDGL-SFHVURJKSA-N. The full InChI is InChI=1S/C24H27N5O/c1-14(2)21-19-12-17(23-28-29-24(30-23)18-5-4-9-25-13-18)6-7-20(19)27-22(21)16-8-10-26-15(3)11-16/h6-8,10-12,14,18,25,27H,4-5,9,13H2,1-3H3/t18-/m0/s1.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 401.51 g/mol, XLogP of 5.18, 4 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-[(3S)-piperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154640050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).