(4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one

C25H30N4O2 — CID 160686418

IUPAC(4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2ccc(C3CC3)cn2)C(=O)N1CC(=O)Cc1cc(C2CC2)ccn1
InChIInChI=1S/C25H30N4O2/c1-16(2)23-15-29(24-8-7-20(13-27-24)18-5-6-18)25(31)28(23)14-22(30)12-21-11-19(9-10-26-21)17-3-4-17/h7-11,13,16-18,23H,3-6,12,14-15H2,1-2H3/t23-/m1/s1
InChIKeyROUYTJHDUVAUKS-HSZRJFAPSA-N
MW418.54 g/mol
LogP4.31
Rot. Bonds8

About (4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one

(4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one (PubChem CID 160686418) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is (4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one
PubChem CID160686418
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name(4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one
SMILESCC(C)[C@H]1CN(c2ccc(C3CC3)cn2)C(=O)N1CC(=O)Cc1cc(C2CC2)ccn1
InChIInChI=1S/C25H30N4O2/c1-16(2)23-15-29(24-8-7-20(13-27-24)18-5-6-18)25(31)28(23)14-22(30)12-21-11-19(9-10-26-21)17-3-4-17/h7-11,13,16-18,23H,3-6,12,14-15H2,1-2H3/t23-/m1/s1
InChIKeyROUYTJHDUVAUKS-HSZRJFAPSA-N
XLogP4.31
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of (4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one (CID 160686418) is (4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one is CC(C)[C@H]1CN(c2ccc(C3CC3)cn2)C(=O)N1CC(=O)Cc1cc(C2CC2)ccn1.
What is the InChIKey of (4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one?
The InChIKey is ROUYTJHDUVAUKS-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-16(2)23-15-29(24-8-7-20(13-27-24)18-5-6-18)25(31)28(23)14-22(30)12-21-11-19(9-10-26-21)17-3-4-17/h7-11,13,16-18,23H,3-6,12,14-15H2,1-2H3/t23-/m1/s1.
What are the key properties of (4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one?
(4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one has a molecular weight of 418.54 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(5-cyclopropyl-2-pyridinyl)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 160686418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).