(4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone

C23H22N6O — CID 25095848

IUPAC(4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone
SMILESO=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2ncccc21
InChIInChI=1S/C23H22N6O/c30-23(29-20-12-7-13-24-22(20)25-26-29)28-16-14-27(15-17-28)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,21H,14-17H2
InChIKeyZQUPPOYANWLEHS-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.20
Rot. Bonds3

About (4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone (PubChem CID 25095848) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone
PubChem CID25095848
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone
SMILESO=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2ncccc21
InChIInChI=1S/C23H22N6O/c30-23(29-20-12-7-13-24-22(20)25-26-29)28-16-14-27(15-17-28)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,21H,14-17H2
InChIKeyZQUPPOYANWLEHS-UHFFFAOYSA-N
XLogP3.20
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone (CID 25095848) is (4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone is O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1nnc2ncccc21.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone?
The InChIKey is ZQUPPOYANWLEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c30-23(29-20-12-7-13-24-22(20)25-26-29)28-16-14-27(15-17-28)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-13,21H,14-17H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone has a molecular weight of 398.47 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(triazolo[4,5-b]pyridin-1-yl)methanone is sourced from PubChem (CID 25095848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).