5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one

C19H19F6N5O2 — CID 167442762

IUPAC5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(CCCc1c[nH]c(=O)c(C(F)(F)F)c1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F6N5O2/c20-18(21,22)13-10-27-17(28-11-13)30-6-4-29(5-7-30)15(31)3-1-2-12-8-14(19(23,24)25)16(32)26-9-12/h8-11H,1-7H2,(H,26,32)
InChIKeyKFPDYNXAHJQRCP-UHFFFAOYSA-N
MW463.38 g/mol
LogP2.87
Rot. Bonds5

About 5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one

5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 167442762) has the molecular formula C19H19F6N5O2 and a molecular weight of 463.38 g/mol. Its IUPAC name is 5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID167442762
Molecular FormulaC19H19F6N5O2
Molecular Weight463.38 g/mol
Exact Mass463.14
IUPAC Name5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C(CCCc1c[nH]c(=O)c(C(F)(F)F)c1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F6N5O2/c20-18(21,22)13-10-27-17(28-11-13)30-6-4-29(5-7-30)15(31)3-1-2-12-8-14(19(23,24)25)16(32)26-9-12/h8-11H,1-7H2,(H,26,32)
InChIKeyKFPDYNXAHJQRCP-UHFFFAOYSA-N
XLogP2.87
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11530193, Example 80
CID 150770085
3-[5-oxo-5-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]pentyl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 168250126
US20240351997, Example 155
CID 167442745
US20240351997, Example 157
CID 167442747
US20240351997, Example 163
CID 167442754
US20240351997, Example 91
CID 167442767
US20240351997, Example 165
CID 167442769
US20240351997, Example 67
CID 167442782
US20240351997, Example 164
CID 167442796
US20240351997, Example 154
CID 167442797
US20240351997, Example 166
CID 167442798
US20240351997, Example 171
CID 167442799

Frequently Asked Questions

What is the IUPAC name of 5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one (CID 167442762) is 5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one is O=C(CCCc1c[nH]c(=O)c(C(F)(F)F)c1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is KFPDYNXAHJQRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N5O2/c20-18(21,22)13-10-27-17(28-11-13)30-6-4-29(5-7-30)15(31)3-1-2-12-8-14(19(23,24)25)16(32)26-9-12/h8-11H,1-7H2,(H,26,32).
What are the key properties of 5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one?
5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 463.38 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-oxo-4-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 167442762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).