1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol

C22H23N5O — CID 130432018

IUPAC1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol
SMILESNc1cc(C(CC(O)CCc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C22H23N5O/c23-20-14-19(21-22(24-20)26-27-25-21)18(16-9-5-2-6-10-16)13-17(28)12-11-15-7-3-1-4-8-15/h1-10,14,17-18,28H,11-13H2,(H3,23,24,25,26,27)
InChIKeyUKFKXGTXDWPRPO-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.45
Rot. Bonds7

About 1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol

1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol (PubChem CID 130432018) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol.

Molecular Properties

Compound Name1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol
PubChem CID130432018
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol
SMILESNc1cc(C(CC(O)CCc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C22H23N5O/c23-20-14-19(21-22(24-20)26-27-25-21)18(16-9-5-2-6-10-16)13-17(28)12-11-15-7-3-1-4-8-15/h1-10,14,17-18,28H,11-13H2,(H3,23,24,25,26,27)
InChIKeyUKFKXGTXDWPRPO-UHFFFAOYSA-N
XLogP3.45
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Mpo-IN-4
CID 126650041
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
US10214527, Example 17
CID 126650314
US10214527, Example 23
CID 126679246
7-[(1R)-1-phenyl-4-(4-phenylpiperidin-1-yl)butyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 130431915
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)-1-phenyl-3-[[(1R,3R)-3-phenylcyclopentyl]amino]propyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162672564
7-[(1R)-3-(benzylamino)-1-phenylpropyl]-2H-triazolo[4,5-b]pyridin-5-amine
CID 162676863
US10214527, Example 14
CID 126678957

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol?
The IUPAC name of 1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol (CID 130432018) is 1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol.
What is the SMILES notation for 1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol?
The canonical SMILES for 1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol is Nc1cc(C(CC(O)CCc2ccccc2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of 1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol?
The InChIKey is UKFKXGTXDWPRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c23-20-14-19(21-22(24-20)26-27-25-21)18(16-9-5-2-6-10-16)13-17(28)12-11-15-7-3-1-4-8-15/h1-10,14,17-18,28H,11-13H2,(H3,23,24,25,26,27).
What are the key properties of 1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol?
1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol has a molecular weight of 373.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-1,5-diphenylpentan-3-ol is sourced from PubChem (CID 130432018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).