1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine

C26H23N5 — CID 44548388

IUPAC1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
SMILESCc1nnc2ccc3nc(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)cc3n12
InChIInChI=1S/C26H23N5/c1-17-29-30-24-13-12-22-23(31(17)24)16-21(18-6-3-2-4-7-18)25(28-22)19-8-10-20(11-9-19)26(27)14-5-15-26/h2-4,6-13,16H,5,14-15,27H2,1H3
InChIKeySOEMWTZICGEHLL-UHFFFAOYSA-N
MW405.51 g/mol
LogP5.26
Rot. Bonds3

About 1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine

1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine (PubChem CID 44548388) has the molecular formula C26H23N5 and a molecular weight of 405.51 g/mol. Its IUPAC name is 1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
PubChem CID44548388
Molecular FormulaC26H23N5
Molecular Weight405.51 g/mol
Exact Mass405.20
IUPAC Name1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
SMILESCc1nnc2ccc3nc(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)cc3n12
InChIInChI=1S/C26H23N5/c1-17-29-30-24-13-12-22-23(31(17)24)16-21(18-6-3-2-4-7-18)25(28-22)19-8-10-20(11-9-19)26(27)14-5-15-26/h2-4,6-13,16H,5,14-15,27H2,1H3
InChIKeySOEMWTZICGEHLL-UHFFFAOYSA-N
XLogP5.26
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.51
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine (CID 44548388) is 1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine is Cc1nnc2ccc3nc(-c4ccc(C5(N)CCC5)cc4)c(-c4ccccc4)cc3n12.
What is the InChIKey of 1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine?
The InChIKey is SOEMWTZICGEHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5/c1-17-29-30-24-13-12-22-23(31(17)24)16-21(18-6-3-2-4-7-18)25(28-22)19-8-10-20(11-9-19)26(27)14-5-15-26/h2-4,6-13,16H,5,14-15,27H2,1H3.
What are the key properties of 1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine?
1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine has a molecular weight of 405.51 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 44548388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).