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

C23H15ClFN5 — CID 53344842

IUPAC2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
SMILESCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1
InChIInChI=1S/C23H15ClFN5/c1-30-13-16(12-28-30)14-7-15(11-26-10-14)19-9-22(20-8-17(24)4-5-21(20)25)29-23-18(19)3-2-6-27-23/h2-13H,1H3
InChIKeyVVKPEXQCVDBGMC-UHFFFAOYSA-N
MW415.86 g/mol
LogP5.55
Rot. Bonds3

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

2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine (PubChem CID 53344842) has the molecular formula C23H15ClFN5 and a molecular weight of 415.86 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
PubChem CID53344842
Molecular FormulaC23H15ClFN5
Molecular Weight415.86 g/mol
Exact Mass415.10
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine
SMILESCn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1
InChIInChI=1S/C23H15ClFN5/c1-30-13-16(12-28-30)14-7-15(11-26-10-14)19-9-22(20-8-17(24)4-5-21(20)25)29-23-18(19)3-2-6-27-23/h2-13H,1H3
InChIKeyVVKPEXQCVDBGMC-UHFFFAOYSA-N
XLogP5.55
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.86
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine (CID 53344842) is 2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine is Cn1cc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)cn1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is VVKPEXQCVDBGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClFN5/c1-30-13-16(12-28-30)14-7-15(11-26-10-14)19-9-22(20-8-17(24)4-5-21(20)25)29-23-18(19)3-2-6-27-23/h2-13H,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 415.86 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 53344842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).