2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine

C22H13ClFN5 — CID 66632123

IUPAC2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2nccc3ccncc23)c2ncccc2n1
InChIInChI=1S/C22H13ClFN5/c23-14-3-4-17(24)15(10-14)19-11-20(21-18(28-19)2-1-7-26-21)29-22-16-12-25-8-5-13(16)6-9-27-22/h1-12H,(H,27,28,29)
InChIKeyIOBKOHZYSVKOLF-UHFFFAOYSA-N
MW401.83 g/mol
LogP5.78
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine

2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine (PubChem CID 66632123) has the molecular formula C22H13ClFN5 and a molecular weight of 401.83 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine
PubChem CID66632123
Molecular FormulaC22H13ClFN5
Molecular Weight401.83 g/mol
Exact Mass401.08
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2nccc3ccncc23)c2ncccc2n1
InChIInChI=1S/C22H13ClFN5/c23-14-3-4-17(24)15(10-14)19-11-20(21-18(28-19)2-1-7-26-21)29-22-16-12-25-8-5-13(16)6-9-27-22/h1-12H,(H,27,28,29)
InChIKeyIOBKOHZYSVKOLF-UHFFFAOYSA-N
XLogP5.78
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.83
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine (CID 66632123) is 2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine is Fc1ccc(Cl)cc1-c1cc(Nc2nccc3ccncc23)c2ncccc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine?
The InChIKey is IOBKOHZYSVKOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFN5/c23-14-3-4-17(24)15(10-14)19-11-20(21-18(28-19)2-1-7-26-21)29-22-16-12-25-8-5-13(16)6-9-27-22/h1-12H,(H,27,28,29).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine has a molecular weight of 401.83 g/mol, XLogP of 5.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-(2,7-naphthyridin-1-yl)-1,5-naphthyridin-4-amine is sourced from PubChem (CID 66632123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).