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

C23H25N5O — CID 154640033

IUPAC2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc([C@@H]5CCCN5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C23H25N5O/c1-13(2)20-17-12-16(22-27-28-23(29-22)19-5-4-9-25-19)6-7-18(17)26-21(20)15-8-10-24-14(3)11-15/h6-8,10-13,19,25-26H,4-5,9H2,1-3H3/t19-/m0/s1
InChIKeyQGAQZODCCYHKAV-IBGZPJMESA-N
MW387.49 g/mol
LogP5.14
Rot. Bonds4

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

2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole (PubChem CID 154640033) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
PubChem CID154640033
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc([C@@H]5CCCN5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C23H25N5O/c1-13(2)20-17-12-16(22-27-28-23(29-22)19-5-4-9-25-19)6-7-18(17)26-21(20)15-8-10-24-14(3)11-15/h6-8,10-13,19,25-26H,4-5,9H2,1-3H3/t19-/m0/s1
InChIKeyQGAQZODCCYHKAV-IBGZPJMESA-N
XLogP5.14
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole (CID 154640033) is 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(2S)-pyrrolidin-2-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-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc([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-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is QGAQZODCCYHKAV-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N5O/c1-13(2)20-17-12-16(22-27-28-23(29-22)19-5-4-9-25-19)6-7-18(17)26-21(20)15-8-10-24-14(3)11-15/h6-8,10-13,19,25-26H,4-5,9H2,1-3H3/t19-/m0/s1.
What are the key properties of 2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole?
2-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-5-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 387.49 g/mol, XLogP of 5.14, 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-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154640033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).