2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine

C27H22ClFN6 — CID 53328062

IUPAC2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C27H22ClFN6/c28-20-3-4-25(29)24(11-20)26-12-23(22-2-1-7-32-27(22)34-26)18-10-17(13-31-14-18)19-15-33-35(16-19)21-5-8-30-9-6-21/h1-4,7,10-16,21,30H,5-6,8-9H2
InChIKeyWFPMYFAGIJUWHX-UHFFFAOYSA-N
MW484.97 g/mol
LogP5.94
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine (PubChem CID 53328062) has the molecular formula C27H22ClFN6 and a molecular weight of 484.97 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
PubChem CID53328062
Molecular FormulaC27H22ClFN6
Molecular Weight484.97 g/mol
Exact Mass484.16
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)c2cccnc2n1
InChIInChI=1S/C27H22ClFN6/c28-20-3-4-25(29)24(11-20)26-12-23(22-2-1-7-32-27(22)34-26)18-10-17(13-31-14-18)19-15-33-35(16-19)21-5-8-30-9-6-21/h1-4,7,10-16,21,30H,5-6,8-9H2
InChIKeyWFPMYFAGIJUWHX-UHFFFAOYSA-N
XLogP5.94
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.97
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine (CID 53328062) is 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine is Fc1ccc(Cl)cc1-c1cc(-c2cncc(-c3cnn(C4CCNCC4)c3)c2)c2cccnc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is WFPMYFAGIJUWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22ClFN6/c28-20-3-4-25(29)24(11-20)26-12-23(22-2-1-7-32-27(22)34-26)18-10-17(13-31-14-18)19-15-33-35(16-19)21-5-8-30-9-6-21/h1-4,7,10-16,21,30H,5-6,8-9H2.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 484.97 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 53328062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).