N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide

C18H17N5O3 — CID 166358887

IUPACN-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide
SMILESO=C(NCCN1Cc2ccccc2OCC1=O)c1ccc2[nH]ncc2n1
InChIInChI=1S/C18H17N5O3/c24-17-11-26-16-4-2-1-3-12(16)10-23(17)8-7-19-18(25)14-6-5-13-15(21-14)9-20-22-13/h1-6,9H,7-8,10-11H2,(H,19,25)(H,20,22)
InChIKeyOQSKTSRYCBOMDZ-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.11
Rot. Bonds4

About N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide

N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide (PubChem CID 166358887) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide
PubChem CID166358887
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide
SMILESO=C(NCCN1Cc2ccccc2OCC1=O)c1ccc2[nH]ncc2n1
InChIInChI=1S/C18H17N5O3/c24-17-11-26-16-4-2-1-3-12(16)10-23(17)8-7-19-18(25)14-6-5-13-15(21-14)9-20-22-13/h1-6,9H,7-8,10-11H2,(H,19,25)(H,20,22)
InChIKeyOQSKTSRYCBOMDZ-UHFFFAOYSA-N
XLogP1.11
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide (CID 166358887) is N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide is O=C(NCCN1Cc2ccccc2OCC1=O)c1ccc2[nH]ncc2n1.
What is the InChIKey of N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide?
The InChIKey is OQSKTSRYCBOMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-17-11-26-16-4-2-1-3-12(16)10-23(17)8-7-19-18(25)14-6-5-13-15(21-14)9-20-22-13/h1-6,9H,7-8,10-11H2,(H,19,25)(H,20,22).
What are the key properties of N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide?
N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-5H-1,4-benzoxazepin-4-yl)ethyl]-1H-pyrazolo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 166358887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).