1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol

C26H30N6O — CID 145371742

IUPAC1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol
SMILESNc1cc(C(CCCN2CCC(O)(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C26H30N6O/c27-23-18-22(24-25(28-23)30-31-29-24)21(19-8-3-1-4-9-19)12-7-15-32-16-13-26(33,14-17-32)20-10-5-2-6-11-20/h1-6,8-11,18,21,33H,7,12-17H2,(H3,27,28,29,30,31)
InChIKeyORMHDGQGMFBMHU-UHFFFAOYSA-N
MW442.57 g/mol
LogP3.83
Rot. Bonds7

About 1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol

1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol (PubChem CID 145371742) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol
PubChem CID145371742
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol
SMILESNc1cc(C(CCCN2CCC(O)(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C26H30N6O/c27-23-18-22(24-25(28-23)30-31-29-24)21(19-8-3-1-4-9-19)12-7-15-32-16-13-26(33,14-17-32)20-10-5-2-6-11-20/h1-6,8-11,18,21,33H,7,12-17H2,(H3,27,28,29,30,31)
InChIKeyORMHDGQGMFBMHU-UHFFFAOYSA-N
XLogP3.83
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 130450939
7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
CID 154702628
7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431915
7-[1-phenyl-3-[(1-phenyl-2-oxabicyclo[2.2.2]octan-4-yl)amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 155113178
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
[1,5-dimethy-6-(1H-1,2,3,4-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]bis(2-fluorophenyl)methanol
CID 171034295
7-[(1R)-1-phenyl-3-[[(3R,6S)-6-phenyloxan-3-yl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162643421
7-[(1R)-1,4-diphenylbutyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162659225
7-[(1R)-1-phenyl-3-phenylmethoxypropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162670874
7-[(1R)-3-(benzylamino)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162676863
[3-Methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol
CID 58483597
[4-[4-Amino-7-(piperazin-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]methanol
CID 71187479

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol (CID 145371742) is 1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol is Nc1cc(C(CCCN2CCC(O)(c3ccccc3)CC2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol?
The InChIKey is ORMHDGQGMFBMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c27-23-18-22(24-25(28-23)30-31-29-24)21(19-8-3-1-4-9-19)12-7-15-32-16-13-26(33,14-17-32)20-10-5-2-6-11-20/h1-6,8-11,18,21,33H,7,12-17H2,(H3,27,28,29,30,31).
What are the key properties of 1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol?
1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol has a molecular weight of 442.57 g/mol, XLogP of 3.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-4-phenylbutyl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 145371742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).