N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine

C26H19F2N5 — CID 71618585

IUPACN-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2cc3ccnc(NCc4ccc(-c5ccnc(F)c5)c(F)c4)c3cn2)ccn1
InChIInChI=1S/C26H19F2N5/c1-16-10-20(6-7-29-16)24-12-18-5-9-31-26(22(18)15-32-24)33-14-17-2-3-21(23(27)11-17)19-4-8-30-25(28)13-19/h2-13,15H,14H2,1H3,(H,31,33)
InChIKeyLQBIMMCPTIPDGX-UHFFFAOYSA-N
MW439.47 g/mol
LogP5.95
Rot. Bonds5

About N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine

N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine (PubChem CID 71618585) has the molecular formula C26H19F2N5 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
PubChem CID71618585
Molecular FormulaC26H19F2N5
Molecular Weight439.47 g/mol
Exact Mass439.16
IUPAC NameN-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2cc3ccnc(NCc4ccc(-c5ccnc(F)c5)c(F)c4)c3cn2)ccn1
InChIInChI=1S/C26H19F2N5/c1-16-10-20(6-7-29-16)24-12-18-5-9-31-26(22(18)15-32-24)33-14-17-2-3-21(23(27)11-17)19-4-8-30-25(28)13-19/h2-13,15H,14H2,1H3,(H,31,33)
InChIKeyLQBIMMCPTIPDGX-UHFFFAOYSA-N
XLogP5.95
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.47
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine?
The IUPAC name of N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine (CID 71618585) is N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine.
What is the SMILES notation for N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine?
The canonical SMILES for N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine is Cc1cc(-c2cc3ccnc(NCc4ccc(-c5ccnc(F)c5)c(F)c4)c3cn2)ccn1.
What is the InChIKey of N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine?
The InChIKey is LQBIMMCPTIPDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5/c1-16-10-20(6-7-29-16)24-12-18-5-9-31-26(22(18)15-32-24)33-14-17-2-3-21(23(27)11-17)19-4-8-30-25(28)13-19/h2-13,15H,14H2,1H3,(H,31,33).
What are the key properties of N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine?
N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine has a molecular weight of 439.47 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-fluoro-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine is sourced from PubChem (CID 71618585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).