1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one

C24H34N6O3 — CID 70856050

IUPAC1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one
SMILESCc1cc(N2CCNC2=O)cnc1OCC[C@@H]1C[C@@H]1C1CCN(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C24H34N6O3/c1-15(2)21-27-24(33-28-21)29-8-4-17(5-9-29)20-13-18(20)6-11-32-22-16(3)12-19(14-26-22)30-10-7-25-23(30)31/h12,14-15,17-18,20H,4-11,13H2,1-3H3,(H,25,31)/t18-,20-/m1/s1
InChIKeyAFLBWSGIWUYRKE-UYAOXDASSA-N
MW454.58 g/mol
LogP3.75
Rot. Bonds8

About 1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one

1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one (PubChem CID 70856050) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is 1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one
PubChem CID70856050
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC Name1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one
SMILESCc1cc(N2CCNC2=O)cnc1OCC[C@@H]1C[C@@H]1C1CCN(c2nc(C(C)C)no2)CC1
InChIInChI=1S/C24H34N6O3/c1-15(2)21-27-24(33-28-21)29-8-4-17(5-9-29)20-13-18(20)6-11-32-22-16(3)12-19(14-26-22)30-10-7-25-23(30)31/h12,14-15,17-18,20H,4-11,13H2,1-3H3,(H,25,31)/t18-,20-/m1/s1
InChIKeyAFLBWSGIWUYRKE-UYAOXDASSA-N
XLogP3.75
TPSA96.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one (CID 70856050) is 1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one is Cc1cc(N2CCNC2=O)cnc1OCC[C@@H]1C[C@@H]1C1CCN(c2nc(C(C)C)no2)CC1.
What is the InChIKey of 1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one?
The InChIKey is AFLBWSGIWUYRKE-UYAOXDASSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-15(2)21-27-24(33-28-21)29-8-4-17(5-9-29)20-13-18(20)6-11-32-22-16(3)12-19(14-26-22)30-10-7-25-23(30)31/h12,14-15,17-18,20H,4-11,13H2,1-3H3,(H,25,31)/t18-,20-/m1/s1.
What are the key properties of 1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one?
1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one has a molecular weight of 454.58 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-6-[2-[(1S,2R)-2-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]cyclopropyl]ethoxy]-3-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 70856050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).