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

C23H14ClFN6 — CID 53346053

IUPAC4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESNc1nccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)n1
InChIInChI=1S/C23H14ClFN6/c24-15-3-4-19(25)18(9-15)21-10-17(16-2-1-6-28-22(16)30-21)13-8-14(12-27-11-13)20-5-7-29-23(26)31-20/h1-12H,(H2,26,29,31)
InChIKeyUNUKFWLFKRYCCZ-UHFFFAOYSA-N
MW428.86 g/mol
LogP5.19
Rot. Bonds3

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

4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 53346053) has the molecular formula C23H14ClFN6 and a molecular weight of 428.86 g/mol. Its IUPAC name is 4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine
PubChem CID53346053
Molecular FormulaC23H14ClFN6
Molecular Weight428.86 g/mol
Exact Mass428.10
IUPAC Name4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine
SMILESNc1nccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)n1
InChIInChI=1S/C23H14ClFN6/c24-15-3-4-19(25)18(9-15)21-10-17(16-2-1-6-28-22(16)30-21)13-8-14(12-27-11-13)20-5-7-29-23(26)31-20/h1-12H,(H2,26,29,31)
InChIKeyUNUKFWLFKRYCCZ-UHFFFAOYSA-N
XLogP5.19
TPSA90.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.86
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine (CID 53346053) is 4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine is Nc1nccc(-c2cncc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)c2)n1.
What is the InChIKey of 4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is UNUKFWLFKRYCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClFN6/c24-15-3-4-19(25)18(9-15)21-10-17(16-2-1-6-28-22(16)30-21)13-8-14(12-27-11-13)20-5-7-29-23(26)31-20/h1-12H,(H2,26,29,31).
What are the key properties of 4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine?
4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 428.86 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 53346053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).