3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole

C18H25N5O3 — CID 128980573

IUPAC3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
SMILESCOc1ccnc(CN2CCN(C)C(c3nc(C4CC4)no3)C2)c1OC
InChIInChI=1S/C18H25N5O3/c1-22-8-9-23(10-13-16(25-3)15(24-2)6-7-19-13)11-14(22)18-20-17(21-26-18)12-4-5-12/h6-7,12,14H,4-5,8-11H2,1-3H3
InChIKeyBXGMBZGKEIEQGT-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.85
Rot. Bonds6

About 3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole (PubChem CID 128980573) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
PubChem CID128980573
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
SMILESCOc1ccnc(CN2CCN(C)C(c3nc(C4CC4)no3)C2)c1OC
InChIInChI=1S/C18H25N5O3/c1-22-8-9-23(10-13-16(25-3)15(24-2)6-7-19-13)11-14(22)18-20-17(21-26-18)12-4-5-12/h6-7,12,14H,4-5,8-11H2,1-3H3
InChIKeyBXGMBZGKEIEQGT-UHFFFAOYSA-N
XLogP1.85
TPSA76.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopropyl-5-[(2S)-1-methyl-4-[2-(2-methylpyrazol-3-yl)ethyl]piperazin-2-yl]-1,2,4-oxadiazole
CID 129484503
3-cyclopropyl-5-[(2R)-4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
CID 129485017
3-cyclopropyl-5-[(2R)-4-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole
CID 129485091
3,4-dimethoxy-2-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 122139214
1-[(3,4-dimethoxy-2-pyridinyl)methyl]azetidin-3-ol
CID 103173821
(3R)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methylpiperazine
CID 103173642
2-[[3-(2-bromoethyl)pyrrolidin-1-yl]methyl]-3,4-dimethoxypyridine
CID 103174046
2-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]piperazin-1-yl]acetic acid
CID 103173472
3-[(3S)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyrazine-2-carbonitrile
CID 129483309
2-[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 129482332
N-[[1-[(3,4-dimethoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 103173279
1-[(3S)-1-[(3,4-dimethoxy-2-pyridinyl)methyl]pyrrolidin-3-yl]indazole
CID 124727108

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole (CID 128980573) is 3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole is COc1ccnc(CN2CCN(C)C(c3nc(C4CC4)no3)C2)c1OC.
What is the InChIKey of 3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole?
The InChIKey is BXGMBZGKEIEQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-22-8-9-23(10-13-16(25-3)15(24-2)6-7-19-13)11-14(22)18-20-17(21-26-18)12-4-5-12/h6-7,12,14H,4-5,8-11H2,1-3H3.
What are the key properties of 3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole has a molecular weight of 359.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 128980573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).