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

C23H29N5O3 — CID 160861251

IUPAC(4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one
SMILESCCOc1cnc(N2C[C@H](C(C)C)N(CC(=O)Cc3cc(C4CC4)ccn3)C2=O)nc1
InChIInChI=1S/C23H29N5O3/c1-4-31-20-11-25-22(26-12-20)28-14-21(15(2)3)27(23(28)30)13-19(29)10-18-9-17(7-8-24-18)16-5-6-16/h7-9,11-12,15-16,21H,4-6,10,13-14H2,1-3H3/t21-/m1/s1
InChIKeySKNBYJYODOOEJU-OAQYLSRUSA-N
MW423.52 g/mol
LogP3.23
Rot. Bonds9

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

(4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one (PubChem CID 160861251) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one
PubChem CID160861251
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name(4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one
SMILESCCOc1cnc(N2C[C@H](C(C)C)N(CC(=O)Cc3cc(C4CC4)ccn3)C2=O)nc1
InChIInChI=1S/C23H29N5O3/c1-4-31-20-11-25-22(26-12-20)28-14-21(15(2)3)27(23(28)30)13-19(29)10-18-9-17(7-8-24-18)16-5-6-16/h7-9,11-12,15-16,21H,4-6,10,13-14H2,1-3H3/t21-/m1/s1
InChIKeySKNBYJYODOOEJU-OAQYLSRUSA-N
XLogP3.23
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one?
The IUPAC name of (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one (CID 160861251) is (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one is CCOc1cnc(N2C[C@H](C(C)C)N(CC(=O)Cc3cc(C4CC4)ccn3)C2=O)nc1.
What is the InChIKey of (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one?
The InChIKey is SKNBYJYODOOEJU-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-4-31-20-11-25-22(26-12-20)28-14-21(15(2)3)27(23(28)30)13-19(29)10-18-9-17(7-8-24-18)16-5-6-16/h7-9,11-12,15-16,21H,4-6,10,13-14H2,1-3H3/t21-/m1/s1.
What are the key properties of (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one?
(4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one has a molecular weight of 423.52 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-ethoxypyrimidin-2-yl)-4-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 160861251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).