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

C29H23N7 — CID 44547298

IUPAC1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4ccc5nnc(-c6ccnnc6)n5c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C29H23N7/c30-29(14-4-15-29)22-9-7-20(8-10-22)27-23(19-5-2-1-3-6-19)17-25-24(33-27)11-12-26-34-35-28(36(25)26)21-13-16-31-32-18-21/h1-3,5-13,16-18H,4,14-15,30H2
InChIKeySDGITEIGLPHKMA-UHFFFAOYSA-N
MW469.55 g/mol
LogP5.41
Rot. Bonds4

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

1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine (PubChem CID 44547298) has the molecular formula C29H23N7 and a molecular weight of 469.55 g/mol. Its IUPAC name is 1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
PubChem CID44547298
Molecular FormulaC29H23N7
Molecular Weight469.55 g/mol
Exact Mass469.20
IUPAC Name1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4ccc5nnc(-c6ccnnc6)n5c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C29H23N7/c30-29(14-4-15-29)22-9-7-20(8-10-22)27-23(19-5-2-1-3-6-19)17-25-24(33-27)11-12-26-34-35-28(36(25)26)21-13-16-31-32-18-21/h1-3,5-13,16-18H,4,14-15,30H2
InChIKeySDGITEIGLPHKMA-UHFFFAOYSA-N
XLogP5.41
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.55
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
CID 44548388
7-[4-(1-aminocyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridine-1-carboxamide
CID 44549015
1-[4-[1-(5-cyclopropyl-1H-pyrazol-3-yl)-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl]phenyl]cyclobutan-1-amine
CID 44548716
3-[7-[4-(1-amino-3-hydroxy-3-methylcyclobutyl)phenyl]-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-1-yl]phenol
CID 44547441
3-amino-3-[4-[1-(difluoromethyl)-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl]phenyl]-1-methylcyclobutan-1-ol
CID 44547442
3-amino-1-cyclopropyl-3-[4-[8-phenyl-1-(1,2,4-triazolidin-3-yl)-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl]phenyl]cyclobutan-1-ol
CID 90654084
1-[4-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
CID 58524849
1-[4-(3-ethyl-11-phenyl-2,4,5,10,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-12-yl)phenyl]cyclopropan-1-amine
CID 67349104
[1-[4-(1-oxo-8-phenyl-2H-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutyl]carbamic acid
CID 67094107
1-[4-(3,12-diphenyl-8-oxa-2,4,5,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-11-yl)phenyl]cyclobutan-1-amine
CID 53261684
1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 24964269
6-[4-(1-aminocyclobutyl)phenyl]-2-(aminomethyl)-5-phenylpyridin-3-amine
CID 174663749

Frequently Asked Questions

What is the IUPAC name of 1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine?
The IUPAC name of 1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine (CID 44547298) is 1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine?
The canonical SMILES for 1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine is NC1(c2ccc(-c3nc4ccc5nnc(-c6ccnnc6)n5c4cc3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine?
The InChIKey is SDGITEIGLPHKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N7/c30-29(14-4-15-29)22-9-7-20(8-10-22)27-23(19-5-2-1-3-6-19)17-25-24(33-27)11-12-26-34-35-28(36(25)26)21-13-16-31-32-18-21/h1-3,5-13,16-18H,4,14-15,30H2.
What are the key properties of 1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine?
1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine has a molecular weight of 469.55 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(8-phenyl-1-pyridazin-4-yl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 44547298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).