3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine

C25H31N5O — CID 154640081

IUPAC3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CCCN(C)C)o4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C25H31N5O/c1-15(2)23-20-14-18(25-29-28-22(31-25)8-7-11-30(5)6)9-10-21(20)27-24(23)19-12-16(3)26-17(4)13-19/h9-10,12-15,27H,7-8,11H2,1-6H3
InChIKeyRYGYIXLXVRBHIS-UHFFFAOYSA-N
MW417.56 g/mol
LogP5.51
Rot. Bonds7

About 3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine

3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine (PubChem CID 154640081) has the molecular formula C25H31N5O and a molecular weight of 417.56 g/mol. Its IUPAC name is 3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine
PubChem CID154640081
Molecular FormulaC25H31N5O
Molecular Weight417.56 g/mol
Exact Mass417.25
IUPAC Name3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CCCN(C)C)o4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C25H31N5O/c1-15(2)23-20-14-18(25-29-28-22(31-25)8-7-11-30(5)6)9-10-21(20)27-24(23)19-12-16(3)26-17(4)13-19/h9-10,12-15,27H,7-8,11H2,1-6H3
InChIKeyRYGYIXLXVRBHIS-UHFFFAOYSA-N
XLogP5.51
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.56
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine with MolForge

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Related Compounds

CID 215970
CID 215970
CID 77106364
CID 77106364
CID 77106960
CID 77106960
CID 135908466
CID 135908466
CID 650148
CID 650148
CID 654896
CID 654896
CID 1374145
CID 1374145
CID 118707836
CID 118707836
CID 135908467
CID 135908467
CID 168271513
CID 168271513
CID 1374134
CID 1374134
CID 66554901
CID 66554901

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine (CID 154640081) is 3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine is Cc1cc(-c2[nH]c3ccc(-c4nnc(CCCN(C)C)o4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is RYGYIXLXVRBHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O/c1-15(2)23-20-14-18(25-29-28-22(31-25)8-7-11-30(5)6)9-10-21(20)27-24(23)19-12-16(3)26-17(4)13-19/h9-10,12-15,27H,7-8,11H2,1-6H3.
What are the key properties of 3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine?
3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine has a molecular weight of 417.56 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 154640081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).