7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine

C18H14F6N6 — CID 2766446

IUPAC7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CCN(c4ncccn4)CC3)nc2n1
InChIInChI=1S/C18H14F6N6/c19-17(20,21)12-10-13(18(22,23)24)27-15-11(12)2-3-14(28-15)29-6-8-30(9-7-29)16-25-4-1-5-26-16/h1-5,10H,6-9H2
InChIKeyXGADVZVNXAUCTP-UHFFFAOYSA-N
MW428.34 g/mol
LogP3.78
Rot. Bonds2

About 7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine

7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine (PubChem CID 2766446) has the molecular formula C18H14F6N6 and a molecular weight of 428.34 g/mol. Its IUPAC name is 7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
PubChem CID2766446
Molecular FormulaC18H14F6N6
Molecular Weight428.34 g/mol
Exact Mass428.12
IUPAC Name7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CCN(c4ncccn4)CC3)nc2n1
InChIInChI=1S/C18H14F6N6/c19-17(20,21)12-10-13(18(22,23)24)27-15-11(12)2-3-14(28-15)29-6-8-30(9-7-29)16-25-4-1-5-26-16/h1-5,10H,6-9H2
InChIKeyXGADVZVNXAUCTP-UHFFFAOYSA-N
XLogP3.78
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2,4-bis(trifluoromethyl)-1,8-naphthyridine
CID 3758897
2,4-bis(trifluoromethyl)-1,8-naphthyridine
CID 165175632
5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine
CID 24735017
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 61229554
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
4-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800202
4-methyl-2-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
CID 126853610
2-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 112879979
[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 62300156
6-piperidin-1-yl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-4-amine
CID 70929943
4-methyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 70929989

Frequently Asked Questions

What is the IUPAC name of 7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine (CID 2766446) is 7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine is FC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CCN(c4ncccn4)CC3)nc2n1.
What is the InChIKey of 7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is XGADVZVNXAUCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F6N6/c19-17(20,21)12-10-13(18(22,23)24)27-15-11(12)2-3-14(28-15)29-6-8-30(9-7-29)16-25-4-1-5-26-16/h1-5,10H,6-9H2.
What are the key properties of 7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 428.34 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-pyrimidin-2-ylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 2766446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).