3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one

C15H13ClF3N5O2 — CID 91631523

IUPAC3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H13ClF3N5O2/c16-10-5-9(7-20-13(10)25)14(26)24-3-1-23(2-4-24)12-6-11(15(17,18)19)21-8-22-12/h5-8H,1-4H2,(H,20,25)
InChIKeyWCSUKPNUDNDNQS-UHFFFAOYSA-N
MW387.75 g/mol
LogP1.80
Rot. Bonds2

About 3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one

3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 91631523) has the molecular formula C15H13ClF3N5O2 and a molecular weight of 387.75 g/mol. Its IUPAC name is 3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
PubChem CID91631523
Molecular FormulaC15H13ClF3N5O2
Molecular Weight387.75 g/mol
Exact Mass387.07
IUPAC Name3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1c[nH]c(=O)c(Cl)c1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C15H13ClF3N5O2/c16-10-5-9(7-20-13(10)25)14(26)24-3-1-23(2-4-24)12-6-11(15(17,18)19)21-8-22-12/h5-8H,1-4H2,(H,20,25)
InChIKeyWCSUKPNUDNDNQS-UHFFFAOYSA-N
XLogP1.80
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.75
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one (CID 91631523) is 3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one is O=C(c1c[nH]c(=O)c(Cl)c1)N1CCN(c2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is WCSUKPNUDNDNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3N5O2/c16-10-5-9(7-20-13(10)25)14(26)24-3-1-23(2-4-24)12-6-11(15(17,18)19)21-8-22-12/h5-8H,1-4H2,(H,20,25).
What are the key properties of 3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 387.75 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 91631523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).