2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine

C19H19F3N6 — CID 130366474

IUPAC2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine
SMILESCC(c1ccc2cccnc2n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F3N6/c1-13(16-5-4-14-3-2-6-23-17(14)26-16)27-7-9-28(10-8-27)18-24-11-15(12-25-18)19(20,21)22/h2-6,11-13H,7-10H2,1H3
InChIKeyWMAXDVZGKPJESQ-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.32
Rot. Bonds3

About 2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine

2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine (PubChem CID 130366474) has the molecular formula C19H19F3N6 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine
PubChem CID130366474
Molecular FormulaC19H19F3N6
Molecular Weight388.40 g/mol
Exact Mass388.16
IUPAC Name2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine
SMILESCC(c1ccc2cccnc2n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C19H19F3N6/c1-13(16-5-4-14-3-2-6-23-17(14)26-16)27-7-9-28(10-8-27)18-24-11-15(12-25-18)19(20,21)22/h2-6,11-13H,7-10H2,1H3
InChIKeyWMAXDVZGKPJESQ-UHFFFAOYSA-N
XLogP3.32
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine?
The IUPAC name of 2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine (CID 130366474) is 2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine.
What is the SMILES notation for 2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine?
The canonical SMILES for 2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine is CC(c1ccc2cccnc2n1)N1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine?
The InChIKey is WMAXDVZGKPJESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6/c1-13(16-5-4-14-3-2-6-23-17(14)26-16)27-7-9-28(10-8-27)18-24-11-15(12-25-18)19(20,21)22/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine?
2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine has a molecular weight of 388.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]-1,8-naphthyridine is sourced from PubChem (CID 130366474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).