2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine

C28H23ClFN7 — CID 53346054

IUPAC2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine
SMILESCN1CCN(c2ccc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)nn2)CC1
InChIInChI=1S/C28H23ClFN7/c1-36-9-11-37(12-10-36)27-7-6-25(34-35-27)19-13-18(16-31-17-19)22-15-26(23-14-20(29)4-5-24(23)30)33-28-21(22)3-2-8-32-28/h2-8,13-17H,9-12H2,1H3
InChIKeyQFUFUFBFFAGAIO-UHFFFAOYSA-N
MW511.99 g/mol
LogP5.36
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine

2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine (PubChem CID 53346054) has the molecular formula C28H23ClFN7 and a molecular weight of 511.99 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine
PubChem CID53346054
Molecular FormulaC28H23ClFN7
Molecular Weight511.99 g/mol
Exact Mass511.17
IUPAC Name2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine
SMILESCN1CCN(c2ccc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)nn2)CC1
InChIInChI=1S/C28H23ClFN7/c1-36-9-11-37(12-10-36)27-7-6-25(34-35-27)19-13-18(16-31-17-19)22-15-26(23-14-20(29)4-5-24(23)30)33-28-21(22)3-2-8-32-28/h2-8,13-17H,9-12H2,1H3
InChIKeyQFUFUFBFFAGAIO-UHFFFAOYSA-N
XLogP5.36
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.99
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine (CID 53346054) is 2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine is CN1CCN(c2ccc(-c3cncc(-c4cc(-c5cc(Cl)ccc5F)nc5ncccc45)c3)nn2)CC1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine?
The InChIKey is QFUFUFBFFAGAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClFN7/c1-36-9-11-37(12-10-36)27-7-6-25(34-35-27)19-13-18(16-31-17-19)22-15-26(23-14-20(29)4-5-24(23)30)33-28-21(22)3-2-8-32-28/h2-8,13-17H,9-12H2,1H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine?
2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine has a molecular weight of 511.99 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-4-[5-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-3-pyridinyl]-1,8-naphthyridine is sourced from PubChem (CID 53346054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).