N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide

C22H21N5O4 — CID 167789866

IUPACN-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1cc2ccccn2n1
InChIInChI=1S/C22H21N5O4/c28-20(25-9-3-1-4-10-25)14-26-18-12-15(7-8-19(18)31-22(26)30)23-21(29)17-13-16-6-2-5-11-27(16)24-17/h2,5-8,11-13H,1,3-4,9-10,14H2,(H,23,29)
InChIKeyZPQXKGOQORCQBL-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.51
Rot. Bonds4

About N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide

N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 167789866) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
PubChem CID167789866
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC NameN-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1cc2ccccn2n1
InChIInChI=1S/C22H21N5O4/c28-20(25-9-3-1-4-10-25)14-26-18-12-15(7-8-19(18)31-22(26)30)23-21(29)17-13-16-6-2-5-11-27(16)24-17/h2,5-8,11-13H,1,3-4,9-10,14H2,(H,23,29)
InChIKeyZPQXKGOQORCQBL-UHFFFAOYSA-N
XLogP2.51
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide (CID 167789866) is N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide is O=C(Nc1ccc2oc(=O)n(CC(=O)N3CCCCC3)c2c1)c1cc2ccccn2n1.
What is the InChIKey of N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is ZPQXKGOQORCQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c28-20(25-9-3-1-4-10-25)14-26-18-12-15(7-8-19(18)31-22(26)30)23-21(29)17-13-16-6-2-5-11-27(16)24-17/h2,5-8,11-13H,1,3-4,9-10,14H2,(H,23,29).
What are the key properties of N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide?
N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 419.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-5-yl]pyrazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 167789866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).