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

C25H30N6O — CID 154640027

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CN5CCN(C)CC5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H30N6O/c1-16(2)23-20-14-19(5-6-21(20)27-24(23)18-7-8-26-17(3)13-18)25-29-28-22(32-25)15-31-11-9-30(4)10-12-31/h5-8,13-14,16,27H,9-12,15H2,1-4H3
InChIKeyPMYSKYQTJNZDQS-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.46
Rot. Bonds5

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

2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole (PubChem CID 154640027) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
PubChem CID154640027
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole
SMILESCc1cc(-c2[nH]c3ccc(-c4nnc(CN5CCN(C)CC5)o4)cc3c2C(C)C)ccn1
InChIInChI=1S/C25H30N6O/c1-16(2)23-20-14-19(5-6-21(20)27-24(23)18-7-8-26-17(3)13-18)25-29-28-22(32-25)15-31-11-9-30(4)10-12-31/h5-8,13-14,16,27H,9-12,15H2,1-4H3
InChIKeyPMYSKYQTJNZDQS-UHFFFAOYSA-N
XLogP4.46
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole (CID 154640027) is 2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole is Cc1cc(-c2[nH]c3ccc(-c4nnc(CN5CCN(C)CC5)o4)cc3c2C(C)C)ccn1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole?
The InChIKey is PMYSKYQTJNZDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-16(2)23-20-14-19(5-6-21(20)27-24(23)18-7-8-26-17(3)13-18)25-29-28-22(32-25)15-31-11-9-30(4)10-12-31/h5-8,13-14,16,27H,9-12,15H2,1-4H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole?
2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole has a molecular weight of 430.56 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-5-[2-(2-methyl-4-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 154640027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).