N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

C23H19FN6O2 — CID 57400855

IUPACN-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESCOCCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)c(F)c1
InChIInChI=1S/C23H19FN6O2/c1-31-9-10-32-14-5-6-20(19(24)11-14)28-23-16-7-8-25-12-18(16)15-3-2-4-17(21(15)29-23)22-26-13-27-30-22/h2-8,11-13H,9-10H2,1H3,(H,28,29)(H,26,27,30)
InChIKeyPNQLIJJPVOBSQU-UHFFFAOYSA-N
MW430.44 g/mol
LogP4.48
Rot. Bonds7

About N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine

N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (PubChem CID 57400855) has the molecular formula C23H19FN6O2 and a molecular weight of 430.44 g/mol. Its IUPAC name is N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.

Molecular Properties

Compound NameN-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
PubChem CID57400855
Molecular FormulaC23H19FN6O2
Molecular Weight430.44 g/mol
Exact Mass430.16
IUPAC NameN-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
SMILESCOCCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)c(F)c1
InChIInChI=1S/C23H19FN6O2/c1-31-9-10-32-14-5-6-20(19(24)11-14)28-23-16-7-8-25-12-18(16)15-3-2-4-17(21(15)29-23)22-26-13-27-30-22/h2-8,11-13H,9-10H2,1H3,(H,28,29)(H,26,27,30)
InChIKeyPNQLIJJPVOBSQU-UHFFFAOYSA-N
XLogP4.48
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
6-methoxy-3,8-dimethyl-N-(pyridin-4-ylmethyl)-2H-pyrazolo[3,4-b]quinolin-4-amine
CID 57390415
(2-fluoro-4-pyridinyl)-(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)methanol
CID 57402038
4-[fluoro(pyridin-4-yl)methyl]-6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinoline
CID 57403377
(6-methoxy-3,8-dimethyl-2H-pyrazolo[3,4-b]quinolin-4-yl)-pyridin-4-ylmethanol
CID 57403779
6-(2,4-difluorophenoxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 11610032
N3-(2,6-dimethylphenyl)-N6-(3-fluoro-4-(3-(piperidin-1-yl)propoxy)phenyl)-1-(3-methoxy-3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
CID 16048979
6-(2,6-Difluorophenoxy)-N-(1-methyl-pyrazol-3-yl)-quinazolin-4-yl-amine
CID 23160266
6-(3-fluoropyridin-2-yloxy)-N-(1-methyl-1H-pyrazol-3-yl)quinazolin-4-amine
CID 23160287
N-(4-(3-(3-amino-1H-pyrazol-4-yl)pyridin-2-yloxy)phenyl)-4-p-tolylphthalazin-1-amine
CID 24855973
N-[2-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 44187007

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The IUPAC name of N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine (CID 57400855) is N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine.
What is the SMILES notation for N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The canonical SMILES for N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is COCCOc1ccc(Nc2nc3c(-c4ncn[nH]4)cccc3c3cnccc23)c(F)c1.
What is the InChIKey of N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
The InChIKey is PNQLIJJPVOBSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O2/c1-31-9-10-32-14-5-6-20(19(24)11-14)28-23-16-7-8-25-12-18(16)15-3-2-4-17(21(15)29-23)22-26-13-27-30-22/h2-8,11-13H,9-10H2,1H3,(H,28,29)(H,26,27,30).
What are the key properties of N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine?
N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine has a molecular weight of 430.44 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(2-methoxyethoxy)phenyl]-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine is sourced from PubChem (CID 57400855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).