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

C23H16ClFN6 — CID 67363122

IUPAC5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(-c2cc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)cnc2N)cn1
InChIInChI=1S/C23H16ClFN6/c1-31-12-14(11-29-31)18-7-13(10-28-22(18)26)17-9-21(19-8-15(24)4-5-20(19)25)30-23-16(17)3-2-6-27-23/h2-12H,1H3,(H2,26,28)
InChIKeyVOJINZWFQWTAIC-UHFFFAOYSA-N
MW430.87 g/mol
LogP5.13
Rot. Bonds3

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

5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine (PubChem CID 67363122) has the molecular formula C23H16ClFN6 and a molecular weight of 430.87 g/mol. Its IUPAC name is 5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine
PubChem CID67363122
Molecular FormulaC23H16ClFN6
Molecular Weight430.87 g/mol
Exact Mass430.11
IUPAC Name5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine
SMILESCn1cc(-c2cc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)cnc2N)cn1
InChIInChI=1S/C23H16ClFN6/c1-31-12-14(11-29-31)18-7-13(10-28-22(18)26)17-9-21(19-8-15(24)4-5-20(19)25)30-23-16(17)3-2-6-27-23/h2-12H,1H3,(H2,26,28)
InChIKeyVOJINZWFQWTAIC-UHFFFAOYSA-N
XLogP5.13
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.87
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine (CID 67363122) is 5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine is Cn1cc(-c2cc(-c3cc(-c4cc(Cl)ccc4F)nc4ncccc34)cnc2N)cn1.
What is the InChIKey of 5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine?
The InChIKey is VOJINZWFQWTAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN6/c1-31-12-14(11-29-31)18-7-13(10-28-22(18)26)17-9-21(19-8-15(24)4-5-20(19)25)30-23-16(17)3-2-6-27-23/h2-12H,1H3,(H2,26,28).
What are the key properties of 5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine?
5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine has a molecular weight of 430.87 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-(1-methylpyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 67363122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).