(4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one

C24H28FN5O2 — CID 157336057

IUPAC(4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one
SMILESCC[C@H](F)[C@H]1CN(c2ncc(C3CC3)cn2)C(=O)N1CC(=O)Cc1cc(C2CC2)ccn1
InChIInChI=1S/C24H28FN5O2/c1-2-21(25)22-14-30(23-27-11-18(12-28-23)16-5-6-16)24(32)29(22)13-20(31)10-19-9-17(7-8-26-19)15-3-4-15/h7-9,11-12,15-16,21-22H,2-6,10,13-14H2,1H3/t21-,22+/m0/s1
InChIKeyBFVSKDORZJCBBV-FCHUYYIVSA-N
MW437.52 g/mol
LogP3.80
Rot. Bonds9

About (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one

(4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one (PubChem CID 157336057) has the molecular formula C24H28FN5O2 and a molecular weight of 437.52 g/mol. Its IUPAC name is (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one
PubChem CID157336057
Molecular FormulaC24H28FN5O2
Molecular Weight437.52 g/mol
Exact Mass437.22
IUPAC Name(4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one
SMILESCC[C@H](F)[C@H]1CN(c2ncc(C3CC3)cn2)C(=O)N1CC(=O)Cc1cc(C2CC2)ccn1
InChIInChI=1S/C24H28FN5O2/c1-2-21(25)22-14-30(23-27-11-18(12-28-23)16-5-6-16)24(32)29(22)13-20(31)10-19-9-17(7-8-26-19)15-3-4-15/h7-9,11-12,15-16,21-22H,2-6,10,13-14H2,1H3/t21-,22+/m0/s1
InChIKeyBFVSKDORZJCBBV-FCHUYYIVSA-N
XLogP3.80
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one?
The IUPAC name of (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one (CID 157336057) is (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one.
What is the SMILES notation for (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one?
The canonical SMILES for (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one is CC[C@H](F)[C@H]1CN(c2ncc(C3CC3)cn2)C(=O)N1CC(=O)Cc1cc(C2CC2)ccn1.
What is the InChIKey of (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one?
The InChIKey is BFVSKDORZJCBBV-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H28FN5O2/c1-2-21(25)22-14-30(23-27-11-18(12-28-23)16-5-6-16)24(32)29(22)13-20(31)10-19-9-17(7-8-26-19)15-3-4-15/h7-9,11-12,15-16,21-22H,2-6,10,13-14H2,1H3/t21-,22+/m0/s1.
What are the key properties of (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one?
(4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one has a molecular weight of 437.52 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[3-(4-cyclopropyl-2-pyridinyl)-2-oxopropyl]-1-(5-cyclopropylpyrimidin-2-yl)-4-[(1S)-1-fluoropropyl]imidazolidin-2-one is sourced from PubChem (CID 157336057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).