2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine

C15H16ClF2N3O — CID 167261428

IUPAC2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
SMILESCC(C)(N)c1cnc(OC2CC(F)(F)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H16ClF2N3O/c1-14(2,19)11-7-21-13(22-8-4-15(17,18)5-8)10-6-20-12(16)3-9(10)11/h3,6-8H,4-5,19H2,1-2H3
InChIKeyXHLBEZQZUNQRMX-UHFFFAOYSA-N
MW327.76 g/mol
LogP3.65
Rot. Bonds3

About 2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine

2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine (PubChem CID 167261428) has the molecular formula C15H16ClF2N3O and a molecular weight of 327.76 g/mol. Its IUPAC name is 2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine.

Molecular Properties

Compound Name2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
PubChem CID167261428
Molecular FormulaC15H16ClF2N3O
Molecular Weight327.76 g/mol
Exact Mass327.09
IUPAC Name2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine
SMILESCC(C)(N)c1cnc(OC2CC(F)(F)C2)c2cnc(Cl)cc12
InChIInChI=1S/C15H16ClF2N3O/c1-14(2,19)11-7-21-13(22-8-4-15(17,18)5-8)10-6-20-12(16)3-9(10)11/h3,6-8H,4-5,19H2,1-2H3
InChIKeyXHLBEZQZUNQRMX-UHFFFAOYSA-N
XLogP3.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine?
The IUPAC name of 2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine (CID 167261428) is 2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine.
What is the SMILES notation for 2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine?
The canonical SMILES for 2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine is CC(C)(N)c1cnc(OC2CC(F)(F)C2)c2cnc(Cl)cc12.
What is the InChIKey of 2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine?
The InChIKey is XHLBEZQZUNQRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O/c1-14(2,19)11-7-21-13(22-8-4-15(17,18)5-8)10-6-20-12(16)3-9(10)11/h3,6-8H,4-5,19H2,1-2H3.
What are the key properties of 2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine?
2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine has a molecular weight of 327.76 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-1-(3,3-difluorocyclobutyl)oxy-2,7-naphthyridin-4-yl]propan-2-amine is sourced from PubChem (CID 167261428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).