7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine

C27H32N6 — CID 145371932

IUPAC7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C27H32N6/c28-25-19-24(26-27(29-25)31-32-30-26)23(22-10-5-2-6-11-22)12-7-15-33-16-13-21(14-17-33)18-20-8-3-1-4-9-20/h1-6,8-11,19,21,23H,7,12-18H2,(H3,28,29,30,31,32)
InChIKeyUZMSAZNOWYQYFG-UHFFFAOYSA-N
MW440.60 g/mol
LogP4.80
Rot. Bonds8

About 7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine

7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 145371932) has the molecular formula C27H32N6 and a molecular weight of 440.60 g/mol. Its IUPAC name is 7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID145371932
Molecular FormulaC27H32N6
Molecular Weight440.60 g/mol
Exact Mass440.27
IUPAC Name7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESNc1cc(C(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C27H32N6/c28-25-19-24(26-27(29-25)31-32-30-26)23(22-10-5-2-6-11-22)12-7-15-33-16-13-21(14-17-33)18-20-8-3-1-4-9-20/h1-6,8-11,19,21,23H,7,12-18H2,(H3,28,29,30,31,32)
InChIKeyUZMSAZNOWYQYFG-UHFFFAOYSA-N
XLogP4.80
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.60
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine with MolForge

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Related Compounds

(2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol
CID 158235254
7-[4-[(1S)-4-chloro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 158745194
7-[1-phenyl-5-[2-(trifluoromethoxy)phenyl]pentyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 158757852
7-[4-[(1R)-6-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 159535519
7-[4-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 159767747
3-[3-(4-benzylpiperidin-1-yl)propylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 12045492
7-[3-[(1-methyl-4-phenylcyclohexyl)amino]-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099281
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
7-[1-phenyl-3-[(4-pyridin-3-ylcyclohexyl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 145371733
7-[1-phenyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155099338
7-[(1R)-1-phenyl-3-[[2-(trifluoromethyl)phenyl]methylamino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162650581
7-(5-phenylpentan-2-yl)-2H-triazolo[4,5-b]pyridin-5-amine
CID 155112998

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine (CID 145371932) is 7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine is Nc1cc(C(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is UZMSAZNOWYQYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6/c28-25-19-24(26-27(29-25)31-32-30-26)23(22-10-5-2-6-11-22)12-7-15-33-16-13-21(14-17-33)18-20-8-3-1-4-9-20/h1-6,8-11,19,21,23H,7,12-18H2,(H3,28,29,30,31,32).
What are the key properties of 7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 440.60 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-benzylpiperidin-1-yl)-1-phenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 145371932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).