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

C22H25N5O — CID 154639930

IUPACN-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(-c2ccc3[nH]c(-c4ccnc(C)c4)c(C(C)C)c3c2)o1
InChIInChI=1S/C22H25N5O/c1-13(2)20-17-12-16(22-27-26-19(28-22)8-9-23-4)5-6-18(17)25-21(20)15-7-10-24-14(3)11-15/h5-7,10-13,23,25H,8-9H2,1-4H3
InChIKeyCHHFNNQQMCORBT-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.47
Rot. Bonds6

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

N-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine (PubChem CID 154639930) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine
PubChem CID154639930
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine
SMILESCNCCc1nnc(-c2ccc3[nH]c(-c4ccnc(C)c4)c(C(C)C)c3c2)o1
InChIInChI=1S/C22H25N5O/c1-13(2)20-17-12-16(22-27-26-19(28-22)8-9-23-4)5-6-18(17)25-21(20)15-7-10-24-14(3)11-15/h5-7,10-13,23,25H,8-9H2,1-4H3
InChIKeyCHHFNNQQMCORBT-UHFFFAOYSA-N
XLogP4.47
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine (CID 154639930) is N-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine is CNCCc1nnc(-c2ccc3[nH]c(-c4ccnc(C)c4)c(C(C)C)c3c2)o1.
What is the InChIKey of N-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
The InChIKey is CHHFNNQQMCORBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-13(2)20-17-12-16(22-27-26-19(28-22)8-9-23-4)5-6-18(17)25-21(20)15-7-10-24-14(3)11-15/h5-7,10-13,23,25H,8-9H2,1-4H3.
What are the key properties of N-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine?
N-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine has a molecular weight of 375.48 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]ethanamine is sourced from PubChem (CID 154639930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).