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

C30H23N9 — CID 24964269

IUPAC1-[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
SMILESNC1(c2ccc(-c3nc4ccn5c(-c6nc7ncccn7n6)nnc5c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C30H23N9/c31-30(13-4-14-30)21-10-8-20(9-11-21)25-22(19-6-2-1-3-7-19)18-23-24(33-25)12-17-38-27(23)35-36-28(38)26-34-29-32-15-5-16-39(29)37-26/h1-3,5-12,15-18H,4,13-14,31H2
InChIKeyYYZJOZFZDVHALC-UHFFFAOYSA-N
MW509.58 g/mol
LogP5.05
Rot. Bonds4

About 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

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 (PubChem CID 24964269) has the molecular formula C30H23N9 and a molecular weight of 509.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID24964269
Molecular FormulaC30H23N9
Molecular Weight509.58 g/mol
Exact Mass509.21
IUPAC Name1-[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
SMILESNC1(c2ccc(-c3nc4ccn5c(-c6nc7ncccn7n6)nnc5c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C30H23N9/c31-30(13-4-14-30)21-10-8-20(9-11-21)25-22(19-6-2-1-3-7-19)18-23-24(33-25)12-17-38-27(23)35-36-28(38)26-34-29-32-15-5-16-39(29)37-26/h1-3,5-12,15-18H,4,13-14,31H2
InChIKeyYYZJOZFZDVHALC-UHFFFAOYSA-N
XLogP5.05
TPSA112.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.58
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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]cyclopropan-1-amine
CID 59473046
1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 59473018
3-fluoro-1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
CID 44556030
1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclohexan-1-amine;dihydrochloride
CID 67254639
8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
CID 141180044
[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
CID 59473066
1-[4-(9-phenyl-3-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
CID 24963919
1-[4-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 24968889
1-[4-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 163955466
[1-[[8-[4-(1-aminocyclobutyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methyl]piperidin-3-yl]methanol
CID 24968539
tert-butyl N-[1-[4-(5-hydrazinyl-3-phenyl-1,6-naphthyridin-2-yl)phenyl]cyclobutyl]carbamate;tert-butyl N-[1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutyl]carbamate;1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine;pyrimidine-2-carboxylic acid;dihydrochloride
CID 158795167
3-methoxy-3-methyl-1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 58229850

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC1(c2ccc(-c3nc4ccn5c(-c6nc7ncccn7n6)nnc5c4cc3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 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?
The InChIKey is YYZJOZFZDVHALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N9/c31-30(13-4-14-30)21-10-8-20(9-11-21)25-22(19-6-2-1-3-7-19)18-23-24(33-25)12-17-38-27(23)35-36-28(38)26-34-29-32-15-5-16-39(29)37-26/h1-3,5-12,15-18H,4,13-14,31H2.
What are the key properties of 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?
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 has a molecular weight of 509.58 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24964269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).