2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide

C20H22ClFN6O2 — CID 90321929

IUPAC2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide
SMILESCC[C@H](F)[C@H]1CN(c2ncc(Cl)cn2)C(=O)N1CC(=O)Nc1cc(C2CC2)ccn1
InChIInChI=1S/C20H22ClFN6O2/c1-2-15(22)16-10-28(19-24-8-14(21)9-25-19)20(30)27(16)11-18(29)26-17-7-13(5-6-23-17)12-3-4-12/h5-9,12,15-16H,2-4,10-11H2,1H3,(H,23,26,29)/t15-,16+/m0/s1
InChIKeyOWORTXDRQPKXHY-JKSUJKDBSA-N
MW432.89 g/mol
LogP3.40
Rot. Bonds7

About 2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide

2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide (PubChem CID 90321929) has the molecular formula C20H22ClFN6O2 and a molecular weight of 432.89 g/mol. Its IUPAC name is 2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide
PubChem CID90321929
Molecular FormulaC20H22ClFN6O2
Molecular Weight432.89 g/mol
Exact Mass432.15
IUPAC Name2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide
SMILESCC[C@H](F)[C@H]1CN(c2ncc(Cl)cn2)C(=O)N1CC(=O)Nc1cc(C2CC2)ccn1
InChIInChI=1S/C20H22ClFN6O2/c1-2-15(22)16-10-28(19-24-8-14(21)9-25-19)20(30)27(16)11-18(29)26-17-7-13(5-6-23-17)12-3-4-12/h5-9,12,15-16H,2-4,10-11H2,1H3,(H,23,26,29)/t15-,16+/m0/s1
InChIKeyOWORTXDRQPKXHY-JKSUJKDBSA-N
XLogP3.40
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide (CID 90321929) is 2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide is CC[C@H](F)[C@H]1CN(c2ncc(Cl)cn2)C(=O)N1CC(=O)Nc1cc(C2CC2)ccn1.
What is the InChIKey of 2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide?
The InChIKey is OWORTXDRQPKXHY-JKSUJKDBSA-N. The full InChI is InChI=1S/C20H22ClFN6O2/c1-2-15(22)16-10-28(19-24-8-14(21)9-25-19)20(30)27(16)11-18(29)26-17-7-13(5-6-23-17)12-3-4-12/h5-9,12,15-16H,2-4,10-11H2,1H3,(H,23,26,29)/t15-,16+/m0/s1.
What are the key properties of 2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide?
2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide has a molecular weight of 432.89 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5R)-3-(5-chloropyrimidin-2-yl)-5-[(1S)-1-fluoropropyl]-2-oxoimidazolidin-1-yl]-N-(4-cyclopropyl-2-pyridinyl)acetamide is sourced from PubChem (CID 90321929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).