[4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine

C26H24N6 — CID 59472965

IUPAC[4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccn4c(CN5CCC5)nnc4c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H24N6/c27-16-18-7-9-20(10-8-18)25-21(19-5-2-1-3-6-19)15-22-23(28-25)11-14-32-24(29-30-26(22)32)17-31-12-4-13-31/h1-3,5-11,14-15H,4,12-13,16-17,27H2
InChIKeyRHMRFEKHUFPQNK-UHFFFAOYSA-N
MW420.52 g/mol
LogP4.28
Rot. Bonds5

About [4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine

[4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine (PubChem CID 59472965) has the molecular formula C26H24N6 and a molecular weight of 420.52 g/mol. Its IUPAC name is [4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
PubChem CID59472965
Molecular FormulaC26H24N6
Molecular Weight420.52 g/mol
Exact Mass420.21
IUPAC Name[4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccn4c(CN5CCC5)nnc4c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H24N6/c27-16-18-7-9-20(10-8-18)25-21(19-5-2-1-3-6-19)15-22-23(28-25)11-14-32-24(29-30-26(22)32)17-31-12-4-13-31/h1-3,5-11,14-15H,4,12-13,16-17,27H2
InChIKeyRHMRFEKHUFPQNK-UHFFFAOYSA-N
XLogP4.28
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
PF-04254644
CID 24871823
Ldn-212854
CID 60182388
Amredobresib
CID 76072013
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 24905152
2-Phenylimidazo[2,1-a]phthalazin-6-amine
CID 3765310
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765
1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 5327820
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461

Frequently Asked Questions

What is the IUPAC name of [4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
The IUPAC name of [4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine (CID 59472965) is [4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine.
What is the SMILES notation for [4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine is NCc1ccc(-c2nc3ccn4c(CN5CCC5)nnc4c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
The InChIKey is RHMRFEKHUFPQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6/c27-16-18-7-9-20(10-8-18)25-21(19-5-2-1-3-6-19)15-22-23(28-25)11-14-32-24(29-30-26(22)32)17-31-12-4-13-31/h1-3,5-11,14-15H,4,12-13,16-17,27H2.
What are the key properties of [4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
[4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine has a molecular weight of 420.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine is sourced from PubChem (CID 59472965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).