2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide

C26H27N5O — CID 164619829

IUPAC2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide
SMILESO=C(CC1CCN(Cc2ccccc2)CC1)Nc1n[nH]c2cc(-c3cccnc3)ccc12
InChIInChI=1S/C26H27N5O/c32-25(15-19-10-13-31(14-11-19)18-20-5-2-1-3-6-20)28-26-23-9-8-21(16-24(23)29-30-26)22-7-4-12-27-17-22/h1-9,12,16-17,19H,10-11,13-15,18H2,(H2,28,29,30,32)
InChIKeyMIIFHVXEAJWDFO-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.87
Rot. Bonds6

About 2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide

2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide (PubChem CID 164619829) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide
PubChem CID164619829
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide
SMILESO=C(CC1CCN(Cc2ccccc2)CC1)Nc1n[nH]c2cc(-c3cccnc3)ccc12
InChIInChI=1S/C26H27N5O/c32-25(15-19-10-13-31(14-11-19)18-20-5-2-1-3-6-20)28-26-23-9-8-21(16-24(23)29-30-26)22-7-4-12-27-17-22/h1-9,12,16-17,19H,10-11,13-15,18H2,(H2,28,29,30,32)
InChIKeyMIIFHVXEAJWDFO-UHFFFAOYSA-N
XLogP4.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide (CID 164619829) is 2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide is O=C(CC1CCN(Cc2ccccc2)CC1)Nc1n[nH]c2cc(-c3cccnc3)ccc12.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide?
The InChIKey is MIIFHVXEAJWDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c32-25(15-19-10-13-31(14-11-19)18-20-5-2-1-3-6-20)28-26-23-9-8-21(16-24(23)29-30-26)22-7-4-12-27-17-22/h1-9,12,16-17,19H,10-11,13-15,18H2,(H2,28,29,30,32).
What are the key properties of 2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide?
2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide has a molecular weight of 425.54 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide is sourced from PubChem (CID 164619829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).