2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine

C24H24ClFN6O — CID 146661798

IUPAC2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine
SMILESCOC[C@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1C
InChIInChI=1S/C24H24ClFN6O/c1-31-7-8-32(13-17(31)14-33-2)16-10-23-22(27-11-16)6-5-21(29-23)19-12-28-30-24(19)18-9-15(25)3-4-20(18)26/h3-6,9-12,17H,7-8,13-14H2,1-2H3,(H,28,30)/t17-/m1/s1
InChIKeyFNKQAVRAFHBAKD-QGZVFWFLSA-N
MW466.95 g/mol
LogP4.25
Rot. Bonds5

About 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine

2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine (PubChem CID 146661798) has the molecular formula C24H24ClFN6O and a molecular weight of 466.95 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine
PubChem CID146661798
Molecular FormulaC24H24ClFN6O
Molecular Weight466.95 g/mol
Exact Mass466.17
IUPAC Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine
SMILESCOC[C@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1C
InChIInChI=1S/C24H24ClFN6O/c1-31-7-8-32(13-17(31)14-33-2)16-10-23-22(27-11-16)6-5-21(29-23)19-12-28-30-24(19)18-9-15(25)3-4-20(18)26/h3-6,9-12,17H,7-8,13-14H2,1-2H3,(H,28,30)/t17-/m1/s1
InChIKeyFNKQAVRAFHBAKD-QGZVFWFLSA-N
XLogP4.25
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.95
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine?
The IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine (CID 146661798) is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine?
The canonical SMILES for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine is COC[C@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)CCN1C.
What is the InChIKey of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine?
The InChIKey is FNKQAVRAFHBAKD-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24ClFN6O/c1-31-7-8-32(13-17(31)14-33-2)16-10-23-22(27-11-16)6-5-21(29-23)19-12-28-30-24(19)18-9-15(25)3-4-20(18)26/h3-6,9-12,17H,7-8,13-14H2,1-2H3,(H,28,30)/t17-/m1/s1.
What are the key properties of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine?
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine has a molecular weight of 466.95 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(3R)-3-(methoxymethyl)-4-methylpiperazin-1-yl]-1,5-naphthyridine is sourced from PubChem (CID 146661798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).