1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine

C22H25N5O — CID 154639986

IUPAC1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CC(C)N)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H25N5O/c1-12(2)20-17-11-16(22-27-26-19(28-22)9-13(3)23)5-6-18(17)25-21(20)15-7-8-24-14(4)10-15/h5-8,10-13,25H,9,23H2,1-4H3
InChIKeyKWUYZZICVSXJOI-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.60
Rot. Bonds5

About 1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine

1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine (PubChem CID 154639986) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine
PubChem CID154639986
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CC(C)N)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C22H25N5O/c1-12(2)20-17-11-16(22-27-26-19(28-22)9-13(3)23)5-6-18(17)25-21(20)15-7-8-24-14(4)10-15/h5-8,10-13,25H,9,23H2,1-4H3
InChIKeyKWUYZZICVSXJOI-UHFFFAOYSA-N
XLogP4.60
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine?
The IUPAC name of 1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine (CID 154639986) is 1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine?
The canonical SMILES for 1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine is Cc1cc(-c2[nH]c3ccc(-c4nnc(CC(C)N)o4)cc3c2C(C)C)ccn1.
What is the InChIKey of 1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine?
The InChIKey is KWUYZZICVSXJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-12(2)20-17-11-16(22-27-26-19(28-22)9-13(3)23)5-6-18(17)25-21(20)15-7-8-24-14(4)10-15/h5-8,10-13,25H,9,23H2,1-4H3.
What are the key properties of 1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine?
1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine has a molecular weight of 375.48 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]propan-2-amine is sourced from PubChem (CID 154639986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).