2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine

C18H16F3N5 — CID 137350719

IUPAC2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine
SMILESFC(F)(F)[C@H]1CN(c2cc(-c3ccncc3)nc3cnccc23)CCN1
InChIInChI=1S/C18H16F3N5/c19-18(20,21)17-11-26(8-7-24-17)16-9-14(12-1-4-22-5-2-12)25-15-10-23-6-3-13(15)16/h1-6,9-10,17,24H,7-8,11H2/t17-/m1/s1
InChIKeyWLQOOSNLZFGHFK-QGZVFWFLSA-N
MW359.36 g/mol
LogP3.03
Rot. Bonds2

About 2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine

2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine (PubChem CID 137350719) has the molecular formula C18H16F3N5 and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine.

Molecular Properties

Compound Name2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine
PubChem CID137350719
Molecular FormulaC18H16F3N5
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine
SMILESFC(F)(F)[C@H]1CN(c2cc(-c3ccncc3)nc3cnccc23)CCN1
InChIInChI=1S/C18H16F3N5/c19-18(20,21)17-11-26(8-7-24-17)16-9-14(12-1-4-22-5-2-12)25-15-10-23-6-3-13(15)16/h1-6,9-10,17,24H,7-8,11H2/t17-/m1/s1
InChIKeyWLQOOSNLZFGHFK-QGZVFWFLSA-N
XLogP3.03
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine?
The IUPAC name of 2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine (CID 137350719) is 2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine.
What is the SMILES notation for 2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine?
The canonical SMILES for 2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine is FC(F)(F)[C@H]1CN(c2cc(-c3ccncc3)nc3cnccc23)CCN1.
What is the InChIKey of 2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine?
The InChIKey is WLQOOSNLZFGHFK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16F3N5/c19-18(20,21)17-11-26(8-7-24-17)16-9-14(12-1-4-22-5-2-12)25-15-10-23-6-3-13(15)16/h1-6,9-10,17,24H,7-8,11H2/t17-/m1/s1.
What are the key properties of 2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine?
2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine has a molecular weight of 359.36 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-4-[(3R)-3-(trifluoromethyl)piperazin-1-yl]-1,7-naphthyridine is sourced from PubChem (CID 137350719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).