4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

C19H20F3N5O3 — CID 118043427

IUPAC4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(F)(F)F)c(-c3ccc(N4CCOCC4)nc3)cn2)C1=O
InChIInChI=1S/C19H20F3N5O3/c1-25-11-17(28)27(18(25)29)16-8-14(19(20,21)22)13(10-24-16)12-2-3-15(23-9-12)26-4-6-30-7-5-26/h2-3,8-10,17,28H,4-7,11H2,1H3
InChIKeyBBDTYGNEJGUJKL-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.19
Rot. Bonds3

About 4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one

4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 118043427) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is 4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
PubChem CID118043427
Molecular FormulaC19H20F3N5O3
Molecular Weight423.40 g/mol
Exact Mass423.15
IUPAC Name4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(F)(F)F)c(-c3ccc(N4CCOCC4)nc3)cn2)C1=O
InChIInChI=1S/C19H20F3N5O3/c1-25-11-17(28)27(18(25)29)16-8-14(19(20,21)22)13(10-24-16)12-2-3-15(23-9-12)26-4-6-30-7-5-26/h2-3,8-10,17,28H,4-7,11H2,1H3
InChIKeyBBDTYGNEJGUJKL-UHFFFAOYSA-N
XLogP2.19
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one (CID 118043427) is 4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is CN1CC(O)N(c2cc(C(F)(F)F)c(-c3ccc(N4CCOCC4)nc3)cn2)C1=O.
What is the InChIKey of 4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is BBDTYGNEJGUJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c1-25-11-17(28)27(18(25)29)16-8-14(19(20,21)22)13(10-24-16)12-2-3-15(23-9-12)26-4-6-30-7-5-26/h2-3,8-10,17,28H,4-7,11H2,1H3.
What are the key properties of 4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one?
4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 423.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methyl-3-[5-(6-morpholin-4-yl-3-pyridinyl)-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 118043427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).