(2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol

C26H31N5O — CID 158235254

IUPAC(2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol
SMILESNc1cc(C(CCCC(CO)CCCc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C26H31N5O/c27-24-17-23(25-26(28-24)30-31-29-25)22(21-14-5-2-6-15-21)16-8-13-20(18-32)12-7-11-19-9-3-1-4-10-19/h1-6,9-10,14-15,17,20,22,32H,7-8,11-13,16,18H2,(H3,27,28,29,30,31)
InChIKeyGEWPSJCOMZRANZ-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.87
Rot. Bonds11

About (2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol

(2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol (PubChem CID 158235254) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is (2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol.

Molecular Properties

Compound Name(2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol
PubChem CID158235254
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Name(2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol
SMILESNc1cc(C(CCCC(CO)CCCc2ccccc2)c2ccccc2)c2n[nH]nc2n1
InChIInChI=1S/C26H31N5O/c27-24-17-23(25-26(28-24)30-31-29-25)22(21-14-5-2-6-15-21)16-8-13-20(18-32)12-7-11-19-9-3-1-4-10-19/h1-6,9-10,14-15,17,20,22,32H,7-8,11-13,16,18H2,(H3,27,28,29,30,31)
InChIKeyGEWPSJCOMZRANZ-UHFFFAOYSA-N
XLogP4.87
TPSA100.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol?
The IUPAC name of (2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol (CID 158235254) is (2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol.
What is the SMILES notation for (2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol?
The canonical SMILES for (2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol is Nc1cc(C(CCCC(CO)CCCc2ccccc2)c2ccccc2)c2n[nH]nc2n1.
What is the InChIKey of (2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol?
The InChIKey is GEWPSJCOMZRANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c27-24-17-23(25-26(28-24)30-31-29-25)22(21-14-5-2-6-15-21)16-8-13-20(18-32)12-7-11-19-9-3-1-4-10-19/h1-6,9-10,14-15,17,20,22,32H,7-8,11-13,16,18H2,(H3,27,28,29,30,31).
What are the key properties of (2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol?
(2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol has a molecular weight of 429.57 g/mol, XLogP of 4.87, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)-6-phenyl-2-(3-phenylpropyl)hexan-1-ol is sourced from PubChem (CID 158235254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).