2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine

C23H20ClFN6O — CID 171678881

IUPAC2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine
SMILESFc1cnc2ccc(N3CCN(c4cncc(OCc5cccc(Cl)c5)n4)CC3)nc2c1
InChIInChI=1S/C23H20ClFN6O/c24-17-3-1-2-16(10-17)15-32-23-14-26-13-22(29-23)31-8-6-30(7-9-31)21-5-4-19-20(28-21)11-18(25)12-27-19/h1-5,10-14H,6-9,15H2
InChIKeyFKIBANUNAPSEGC-UHFFFAOYSA-N
MW450.91 g/mol
LogP4.12
Rot. Bonds5

About 2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine

2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine (PubChem CID 171678881) has the molecular formula C23H20ClFN6O and a molecular weight of 450.91 g/mol. Its IUPAC name is 2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine.

Molecular Properties

Compound Name2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine
PubChem CID171678881
Molecular FormulaC23H20ClFN6O
Molecular Weight450.91 g/mol
Exact Mass450.14
IUPAC Name2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine
SMILESFc1cnc2ccc(N3CCN(c4cncc(OCc5cccc(Cl)c5)n4)CC3)nc2c1
InChIInChI=1S/C23H20ClFN6O/c24-17-3-1-2-16(10-17)15-32-23-14-26-13-22(29-23)31-8-6-30(7-9-31)21-5-4-19-20(28-21)11-18(25)12-27-19/h1-5,10-14H,6-9,15H2
InChIKeyFKIBANUNAPSEGC-UHFFFAOYSA-N
XLogP4.12
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.91
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine?
The IUPAC name of 2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine (CID 171678881) is 2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine.
What is the SMILES notation for 2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine?
The canonical SMILES for 2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine is Fc1cnc2ccc(N3CCN(c4cncc(OCc5cccc(Cl)c5)n4)CC3)nc2c1.
What is the InChIKey of 2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine?
The InChIKey is FKIBANUNAPSEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O/c24-17-3-1-2-16(10-17)15-32-23-14-26-13-22(29-23)31-8-6-30(7-9-31)21-5-4-19-20(28-21)11-18(25)12-27-19/h1-5,10-14H,6-9,15H2.
What are the key properties of 2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine?
2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine has a molecular weight of 450.91 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]piperazin-1-yl]-7-fluoro-1,5-naphthyridine is sourced from PubChem (CID 171678881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).