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

C26H25ClFN5O2 — CID 53372194

IUPAC2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCCN2CCOCC2)c2cccnc2n1
InChIInChI=1S/C26H25ClFN5O2/c27-18-4-5-21(28)20(15-18)24-16-23(19-3-1-7-30-26(19)32-24)31-22-6-8-29-17-25(22)35-12-2-9-33-10-13-34-14-11-33/h1,3-8,15-17H,2,9-14H2,(H,29,30,31,32)
InChIKeySURWYYDTVXYTJD-UHFFFAOYSA-N
MW493.97 g/mol
LogP5.33
Rot. Bonds8

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

2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine (PubChem CID 53372194) has the molecular formula C26H25ClFN5O2 and a molecular weight of 493.97 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
PubChem CID53372194
Molecular FormulaC26H25ClFN5O2
Molecular Weight493.97 g/mol
Exact Mass493.17
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCCN2CCOCC2)c2cccnc2n1
InChIInChI=1S/C26H25ClFN5O2/c27-18-4-5-21(28)20(15-18)24-16-23(19-3-1-7-30-26(19)32-24)31-22-6-8-29-17-25(22)35-12-2-9-33-10-13-34-14-11-33/h1,3-8,15-17H,2,9-14H2,(H,29,30,31,32)
InChIKeySURWYYDTVXYTJD-UHFFFAOYSA-N
XLogP5.33
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.97
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine (CID 53372194) is 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccncc2OCCCN2CCOCC2)c2cccnc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
The InChIKey is SURWYYDTVXYTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O2/c27-18-4-5-21(28)20(15-18)24-16-23(19-3-1-7-30-26(19)32-24)31-22-6-8-29-17-25(22)35-12-2-9-33-10-13-34-14-11-33/h1,3-8,15-17H,2,9-14H2,(H,29,30,31,32).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-[3-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine has a molecular weight of 493.97 g/mol, XLogP of 5.33, 8 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-(3-morpholin-4-ylpropoxy)-4-pyridinyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53372194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).