6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine

C21H14ClFN6O — CID 175794643

IUPAC6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine
SMILESCc1cc(-c2nc3ccc(Cl)nc3c(N)c2F)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C21H14ClFN6O/c1-11-8-12(20-18(23)19(24)21-14(27-20)3-5-16(22)28-21)2-4-15(11)30-13-6-7-29-17(9-13)25-10-26-29/h2-10H,1H3,(H2,24,27)
InChIKeyXBMZNVWFEQWWQF-UHFFFAOYSA-N
MW420.84 g/mol
LogP4.81
Rot. Bonds3

About 6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine

6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine (PubChem CID 175794643) has the molecular formula C21H14ClFN6O and a molecular weight of 420.84 g/mol. Its IUPAC name is 6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine
PubChem CID175794643
Molecular FormulaC21H14ClFN6O
Molecular Weight420.84 g/mol
Exact Mass420.09
IUPAC Name6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine
SMILESCc1cc(-c2nc3ccc(Cl)nc3c(N)c2F)ccc1Oc1ccn2ncnc2c1
InChIInChI=1S/C21H14ClFN6O/c1-11-8-12(20-18(23)19(24)21-14(27-20)3-5-16(22)28-21)2-4-15(11)30-13-6-7-29-17(9-13)25-10-26-29/h2-10H,1H3,(H2,24,27)
InChIKeyXBMZNVWFEQWWQF-UHFFFAOYSA-N
XLogP4.81
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.84
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine (CID 175794643) is 6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine is Cc1cc(-c2nc3ccc(Cl)nc3c(N)c2F)ccc1Oc1ccn2ncnc2c1.
What is the InChIKey of 6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine?
The InChIKey is XBMZNVWFEQWWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFN6O/c1-11-8-12(20-18(23)19(24)21-14(27-20)3-5-16(22)28-21)2-4-15(11)30-13-6-7-29-17(9-13)25-10-26-29/h2-10H,1H3,(H2,24,27).
What are the key properties of 6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine?
6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine has a molecular weight of 420.84 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-fluoro-2-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 175794643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).