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

C20H16F6N4 — CID 2764724

IUPAC7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CCN(c4ccccc4)CC3)nc2n1
InChIInChI=1S/C20H16F6N4/c21-19(22,23)15-12-16(20(24,25)26)27-18-14(15)6-7-17(28-18)30-10-8-29(9-11-30)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyPJYILDKXLTZUMV-UHFFFAOYSA-N
MW426.36 g/mol
LogP4.99
Rot. Bonds2

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

7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine (PubChem CID 2764724) has the molecular formula C20H16F6N4 and a molecular weight of 426.36 g/mol. Its IUPAC name is 7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine.

Molecular Properties

Compound Name7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
PubChem CID2764724
Molecular FormulaC20H16F6N4
Molecular Weight426.36 g/mol
Exact Mass426.13
IUPAC Name7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine
SMILESFC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CCN(c4ccccc4)CC3)nc2n1
InChIInChI=1S/C20H16F6N4/c21-19(22,23)15-12-16(20(24,25)26)27-18-14(15)6-7-17(28-18)30-10-8-29(9-11-30)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyPJYILDKXLTZUMV-UHFFFAOYSA-N
XLogP4.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The IUPAC name of 7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine (CID 2764724) is 7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine.
What is the SMILES notation for 7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The canonical SMILES for 7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine is FC(F)(F)c1cc(C(F)(F)F)c2ccc(N3CCN(c4ccccc4)CC3)nc2n1.
What is the InChIKey of 7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
The InChIKey is PJYILDKXLTZUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N4/c21-19(22,23)15-12-16(20(24,25)26)27-18-14(15)6-7-17(28-18)30-10-8-29(9-11-30)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of 7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine?
7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine has a molecular weight of 426.36 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenylpiperazin-1-yl)-2,4-bis(trifluoromethyl)-1,8-naphthyridine is sourced from PubChem (CID 2764724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).