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

C24H24ClFN6 — CID 146661849

IUPAC2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine
SMILESC[C@@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)[C@H](C)CN1C
InChIInChI=1S/C24H24ClFN6/c1-14-13-32(15(2)12-31(14)3)17-9-23-22(27-10-17)7-6-21(29-23)19-11-28-30-24(19)18-8-16(25)4-5-20(18)26/h4-11,14-15H,12-13H2,1-3H3,(H,28,30)/t14-,15-/m1/s1
InChIKeyCAPLEBLSOIHWKI-HUUCEWRRSA-N
MW450.95 g/mol
LogP5.01
Rot. Bonds3

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

2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine (PubChem CID 146661849) has the molecular formula C24H24ClFN6 and a molecular weight of 450.95 g/mol. Its IUPAC name is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine
PubChem CID146661849
Molecular FormulaC24H24ClFN6
Molecular Weight450.95 g/mol
Exact Mass450.17
IUPAC Name2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine
SMILESC[C@@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)[C@H](C)CN1C
InChIInChI=1S/C24H24ClFN6/c1-14-13-32(15(2)12-31(14)3)17-9-23-22(27-10-17)7-6-21(29-23)19-11-28-30-24(19)18-8-16(25)4-5-20(18)26/h4-11,14-15H,12-13H2,1-3H3,(H,28,30)/t14-,15-/m1/s1
InChIKeyCAPLEBLSOIHWKI-HUUCEWRRSA-N
XLogP5.01
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine?
The IUPAC name of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine (CID 146661849) is 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine.
What is the SMILES notation for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine?
The canonical SMILES for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine is C[C@@H]1CN(c2cnc3ccc(-c4cn[nH]c4-c4cc(Cl)ccc4F)nc3c2)[C@H](C)CN1C.
What is the InChIKey of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine?
The InChIKey is CAPLEBLSOIHWKI-HUUCEWRRSA-N. The full InChI is InChI=1S/C24H24ClFN6/c1-14-13-32(15(2)12-31(14)3)17-9-23-22(27-10-17)7-6-21(29-23)19-11-28-30-24(19)18-8-16(25)4-5-20(18)26/h4-11,14-15H,12-13H2,1-3H3,(H,28,30)/t14-,15-/m1/s1.
What are the key properties of 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine?
2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine has a molecular weight of 450.95 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chloro-2-fluorophenyl)-1H-pyrazol-4-yl]-7-[(2R,5R)-2,4,5-trimethylpiperazin-1-yl]-1,5-naphthyridine is sourced from PubChem (CID 146661849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).