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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Related Compounds

Tt-301
CID 54576073
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
Sri-9439
CID 446752
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
2,3-Diphenylpyrido[2,3-b]pyrazine
CID 817566
4-Pteridinamine, 7-(4-(dimethylamino)phenyl)-
CID 3056069
N-(3,4-difluorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 921541
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
3-Phenyl-4-(Pyridin-4-Yl)-6-[4-(Pyrimidin-2-Yl)piperazin-1-Yl]pyridazine
CID 24743826
2-Methyl-N~1~-[3-(Pyridin-4-Yl)-2,6-Naphthyridin-1-Yl]propane-1,2-Diamine
CID 24996161

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).