2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile

C25H13ClFN5 — CID 71007835

IUPAC2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)c1
InChIInChI=1S/C25H13ClFN5/c26-18-3-4-22(27)21(10-18)24-11-20(19-2-1-6-31-25(19)32-24)16-9-17(14-29-13-16)23-8-15(12-28)5-7-30-23/h1-11,13-14H
InChIKeyRHCGWQPQNGCFRI-UHFFFAOYSA-N
MW437.87 g/mol
LogP6.08
Rot. Bonds3

About 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile

2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile (PubChem CID 71007835) has the molecular formula C25H13ClFN5 and a molecular weight of 437.87 g/mol. Its IUPAC name is 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile
PubChem CID71007835
Molecular FormulaC25H13ClFN5
Molecular Weight437.87 g/mol
Exact Mass437.08
IUPAC Name2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)c1
InChIInChI=1S/C25H13ClFN5/c26-18-3-4-22(27)21(10-18)24-11-20(19-2-1-6-31-25(19)32-24)16-9-17(14-29-13-16)23-8-15(12-28)5-7-30-23/h1-11,13-14H
InChIKeyRHCGWQPQNGCFRI-UHFFFAOYSA-N
XLogP6.08
TPSA75.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.87
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile (CID 71007835) is 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile is N#Cc1ccnc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)c1.
What is the InChIKey of 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile?
The InChIKey is RHCGWQPQNGCFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H13ClFN5/c26-18-3-4-22(27)21(10-18)24-11-20(19-2-1-6-31-25(19)32-24)16-9-17(14-29-13-16)23-8-15(12-28)5-7-30-23/h1-11,13-14H.
What are the key properties of 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile?
2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile has a molecular weight of 437.87 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyridine-4-carbonitrile is sourced from PubChem (CID 71007835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).