3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide

C27H31N5O2 — CID 131724923

IUPAC3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide
SMILESN#CC1CCC(n2nc(-c3cccc(C(=O)NCCC4CCCCN4)c3)c3ccccc32)OC1
InChIInChI=1S/C27H31N5O2/c28-17-19-11-12-25(34-18-19)32-24-10-2-1-9-23(24)26(31-32)20-6-5-7-21(16-20)27(33)30-15-13-22-8-3-4-14-29-22/h1-2,5-7,9-10,16,19,22,25,29H,3-4,8,11-15,18H2,(H,30,33)
InChIKeyUFNOVBZQWJLQLV-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.41
Rot. Bonds6

About 3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide

3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide (PubChem CID 131724923) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide
PubChem CID131724923
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide
SMILESN#CC1CCC(n2nc(-c3cccc(C(=O)NCCC4CCCCN4)c3)c3ccccc32)OC1
InChIInChI=1S/C27H31N5O2/c28-17-19-11-12-25(34-18-19)32-24-10-2-1-9-23(24)26(31-32)20-6-5-7-21(16-20)27(33)30-15-13-22-8-3-4-14-29-22/h1-2,5-7,9-10,16,19,22,25,29H,3-4,8,11-15,18H2,(H,30,33)
InChIKeyUFNOVBZQWJLQLV-UHFFFAOYSA-N
XLogP4.41
TPSA91.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide?
The IUPAC name of 3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide (CID 131724923) is 3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide.
What is the SMILES notation for 3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide?
The canonical SMILES for 3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide is N#CC1CCC(n2nc(-c3cccc(C(=O)NCCC4CCCCN4)c3)c3ccccc32)OC1.
What is the InChIKey of 3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide?
The InChIKey is UFNOVBZQWJLQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c28-17-19-11-12-25(34-18-19)32-24-10-2-1-9-23(24)26(31-32)20-6-5-7-21(16-20)27(33)30-15-13-22-8-3-4-14-29-22/h1-2,5-7,9-10,16,19,22,25,29H,3-4,8,11-15,18H2,(H,30,33).
What are the key properties of 3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide?
3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide has a molecular weight of 457.58 g/mol, XLogP of 4.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-cyanooxan-2-yl)indazol-3-yl]-N-(2-piperidin-2-ylethyl)benzamide is sourced from PubChem (CID 131724923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).