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

C24H29N5O — CID 154640122

IUPAC2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CCN(C)C)o4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C24H29N5O/c1-14(2)22-19-13-17(24-28-27-21(30-24)9-10-29(5)6)7-8-20(19)26-23(22)18-11-15(3)25-16(4)12-18/h7-8,11-14,26H,9-10H2,1-6H3
InChIKeyKYUUIXBXTGERNQ-UHFFFAOYSA-N
MW403.53 g/mol
LogP5.12
Rot. Bonds6

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

2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine (PubChem CID 154640122) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine
PubChem CID154640122
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CCN(C)C)o4)cc3c2C(C)C)cc(C)n1
InChIInChI=1S/C24H29N5O/c1-14(2)22-19-13-17(24-28-27-21(30-24)9-10-29(5)6)7-8-20(19)26-23(22)18-11-15(3)25-16(4)12-18/h7-8,11-14,26H,9-10H2,1-6H3
InChIKeyKYUUIXBXTGERNQ-UHFFFAOYSA-N
XLogP5.12
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine (CID 154640122) is 2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine is Cc1cc(-c2[nH]c3ccc(-c4nnc(CCN(C)C)o4)cc3c2C(C)C)cc(C)n1.
What is the InChIKey of 2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine?
The InChIKey is KYUUIXBXTGERNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-14(2)22-19-13-17(24-28-27-21(30-24)9-10-29(5)6)7-8-20(19)26-23(22)18-11-15(3)25-16(4)12-18/h7-8,11-14,26H,9-10H2,1-6H3.
What are the key properties of 2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine?
2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine has a molecular weight of 403.53 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(2,6-dimethyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 154640122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).