1-[4-(9-phenyl-3-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine

C30H30N6 — CID 24963919

IUPAC1-[4-(9-phenyl-3-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4ccn5c(C6CCCCN6)nnc5c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C30H30N6/c31-30(15-6-16-30)22-12-10-21(11-13-22)27-23(20-7-2-1-3-8-20)19-24-25(33-27)14-18-36-28(24)34-35-29(36)26-9-4-5-17-32-26/h1-3,7-8,10-14,18-19,26,32H,4-6,9,15-17,31H2
InChIKeyZKRYSIZFTAMLHB-UHFFFAOYSA-N
MW474.61 g/mol
LogP5.76
Rot. Bonds4

About 1-[4-(9-phenyl-3-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine

1-[4-(9-phenyl-3-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine (PubChem CID 24963919) has the molecular formula C30H30N6 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-[4-(9-phenyl-3-piperidin-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-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
PubChem CID24963919
Molecular FormulaC30H30N6
Molecular Weight474.61 g/mol
Exact Mass474.25
IUPAC Name1-[4-(9-phenyl-3-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine
SMILESNC1(c2ccc(-c3nc4ccn5c(C6CCCCN6)nnc5c4cc3-c3ccccc3)cc2)CCC1
InChIInChI=1S/C30H30N6/c31-30(15-6-16-30)22-12-10-21(11-13-22)27-23(20-7-2-1-3-8-20)19-24-25(33-27)14-18-36-28(24)34-35-29(36)26-9-4-5-17-32-26/h1-3,7-8,10-14,18-19,26,32H,4-6,9,15-17,31H2
InChIKeyZKRYSIZFTAMLHB-UHFFFAOYSA-N
XLogP5.76
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 55.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[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
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
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-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
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
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-(9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 163955466
[8-[4-(1-aminocyclopropyl)phenyl]-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-3-yl]methanol;4-[3-(hydroxymethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]benzaldehyde;4-[3-(hydroxymethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]benzonitrile
CID 160991902
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-[5-(difluoromethyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]cyclobutan-1-amine
CID 58524849
1-[4-(1-methyl-8-phenyl-[1,2,4]triazolo[4,3-a][1,5]naphthyridin-7-yl)phenyl]cyclobutan-1-amine
CID 44548388
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-piperidin-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-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine (CID 24963919) is 1-[4-(9-phenyl-3-piperidin-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-piperidin-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-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine is NC1(c2ccc(-c3nc4ccn5c(C6CCCCN6)nnc5c4cc3-c3ccccc3)cc2)CCC1.
What is the InChIKey of 1-[4-(9-phenyl-3-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine?
The InChIKey is ZKRYSIZFTAMLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6/c31-30(15-6-16-30)22-12-10-21(11-13-22)27-23(20-7-2-1-3-8-20)19-24-25(33-27)14-18-36-28(24)34-35-29(36)26-9-4-5-17-32-26/h1-3,7-8,10-14,18-19,26,32H,4-6,9,15-17,31H2.
What are the key properties of 1-[4-(9-phenyl-3-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine?
1-[4-(9-phenyl-3-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine has a molecular weight of 474.61 g/mol, XLogP of 5.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(9-phenyl-3-piperidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 24963919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).