1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C20H24F3N5O2 — CID 38711308

IUPAC1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(N2CCN(C(=O)Cn3cc(C(F)(F)F)ccc3=O)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H24F3N5O2/c1-13(2)19-24-14(3)10-16(25-19)26-6-8-27(9-7-26)18(30)12-28-11-15(20(21,22)23)4-5-17(28)29/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyQCSVWNDQJPAXIQ-UHFFFAOYSA-N
MW423.44 g/mol
LogP2.44
Rot. Bonds4

About 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 38711308) has the molecular formula C20H24F3N5O2 and a molecular weight of 423.44 g/mol. Its IUPAC name is 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID38711308
Molecular FormulaC20H24F3N5O2
Molecular Weight423.44 g/mol
Exact Mass423.19
IUPAC Name1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESCc1cc(N2CCN(C(=O)Cn3cc(C(F)(F)F)ccc3=O)CC2)nc(C(C)C)n1
InChIInChI=1S/C20H24F3N5O2/c1-13(2)19-24-14(3)10-16(25-19)26-6-8-27(9-7-26)18(30)12-28-11-15(20(21,22)23)4-5-17(28)29/h4-5,10-11,13H,6-9,12H2,1-3H3
InChIKeyQCSVWNDQJPAXIQ-UHFFFAOYSA-N
XLogP2.44
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 38711308) is 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is Cc1cc(N2CCN(C(=O)Cn3cc(C(F)(F)F)ccc3=O)CC2)nc(C(C)C)n1.
What is the InChIKey of 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is QCSVWNDQJPAXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N5O2/c1-13(2)19-24-14(3)10-16(25-19)26-6-8-27(9-7-26)18(30)12-28-11-15(20(21,22)23)4-5-17(28)29/h4-5,10-11,13H,6-9,12H2,1-3H3.
What are the key properties of 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 423.44 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 38711308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).