2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine

C25H23ClFN5O2 — CID 67354089

IUPAC2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCN2CCOCC2)c2cccnc2n1
InChIInChI=1S/C25H23ClFN5O2/c26-17-3-4-20(27)19(14-17)23-15-22(18-2-1-6-29-25(18)31-23)30-21-5-7-28-16-24(21)34-13-10-32-8-11-33-12-9-32/h1-7,14-16H,8-13H2,(H,28,29,30,31)
InChIKeyJIOKNIUHNOCCLW-UHFFFAOYSA-N
MW479.94 g/mol
LogP4.94
Rot. Bonds7

About 2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine

2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 67354089) has the molecular formula C25H23ClFN5O2 and a molecular weight of 479.94 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID67354089
Molecular FormulaC25H23ClFN5O2
Molecular Weight479.94 g/mol
Exact Mass479.15
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCN2CCOCC2)c2cccnc2n1
InChIInChI=1S/C25H23ClFN5O2/c26-17-3-4-20(27)19(14-17)23-15-22(18-2-1-6-29-25(18)31-23)30-21-5-7-28-16-24(21)34-13-10-32-8-11-33-12-9-32/h1-7,14-16H,8-13H2,(H,28,29,30,31)
InChIKeyJIOKNIUHNOCCLW-UHFFFAOYSA-N
XLogP4.94
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine (CID 67354089) is 2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCN2CCOCC2)c2cccnc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is JIOKNIUHNOCCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O2/c26-17-3-4-20(27)19(14-17)23-15-22(18-2-1-6-29-25(18)31-23)30-21-5-7-28-16-24(21)34-13-10-32-8-11-33-12-9-32/h1-7,14-16H,8-13H2,(H,28,29,30,31).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 479.94 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-[3-(2-morpholin-4-ylethoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 67354089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).