N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide

C27H24FN7O2S — CID 146282413

IUPACN-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide
SMILESCCOc1ccc(-c2nnc(C3CC(NC(=O)c4ccnc5cc(F)cnc45)C3)n2-c2ccc(C)s2)nc1
InChIInChI=1S/C27H24FN7O2S/c1-3-37-19-5-6-21(30-14-19)26-34-33-25(35(26)23-7-4-15(2)38-23)16-10-18(11-16)32-27(36)20-8-9-29-22-12-17(28)13-31-24(20)22/h4-9,12-14,16,18H,3,10-11H2,1-2H3,(H,32,36)
InChIKeyGGDVBDMHHLCSCE-UHFFFAOYSA-N
MW529.60 g/mol
LogP4.86
Rot. Bonds7

About N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide

N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide (PubChem CID 146282413) has the molecular formula C27H24FN7O2S and a molecular weight of 529.60 g/mol. Its IUPAC name is N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide
PubChem CID146282413
Molecular FormulaC27H24FN7O2S
Molecular Weight529.60 g/mol
Exact Mass529.17
IUPAC NameN-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide
SMILESCCOc1ccc(-c2nnc(C3CC(NC(=O)c4ccnc5cc(F)cnc45)C3)n2-c2ccc(C)s2)nc1
InChIInChI=1S/C27H24FN7O2S/c1-3-37-19-5-6-21(30-14-19)26-34-33-25(35(26)23-7-4-15(2)38-23)16-10-18(11-16)32-27(36)20-8-9-29-22-12-17(28)13-31-24(20)22/h4-9,12-14,16,18H,3,10-11H2,1-2H3,(H,32,36)
InChIKeyGGDVBDMHHLCSCE-UHFFFAOYSA-N
XLogP4.86
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.60
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide?
The IUPAC name of N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide (CID 146282413) is N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide.
What is the SMILES notation for N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide?
The canonical SMILES for N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide is CCOc1ccc(-c2nnc(C3CC(NC(=O)c4ccnc5cc(F)cnc45)C3)n2-c2ccc(C)s2)nc1.
What is the InChIKey of N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide?
The InChIKey is GGDVBDMHHLCSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O2S/c1-3-37-19-5-6-21(30-14-19)26-34-33-25(35(26)23-7-4-15(2)38-23)16-10-18(11-16)32-27(36)20-8-9-29-22-12-17(28)13-31-24(20)22/h4-9,12-14,16,18H,3,10-11H2,1-2H3,(H,32,36).
What are the key properties of N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide?
N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide has a molecular weight of 529.60 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(5-ethoxy-2-pyridinyl)-4-(5-methylthiophen-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-7-fluoro-1,5-naphthyridine-4-carboxamide is sourced from PubChem (CID 146282413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).