N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide

C21H23N3O2 — CID 122569865

IUPACN-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide
SMILESCCN(C(=O)c1cccc(-c2cnn3ccccc23)c1)C1CCOCC1
InChIInChI=1S/C21H23N3O2/c1-2-23(18-9-12-26-13-10-18)21(25)17-7-5-6-16(14-17)19-15-22-24-11-4-3-8-20(19)24/h3-8,11,14-15,18H,2,9-10,12-13H2,1H3
InChIKeySOMCPZYJQDYSQD-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.64
Rot. Bonds4

About N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide

N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide (PubChem CID 122569865) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide
PubChem CID122569865
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide
SMILESCCN(C(=O)c1cccc(-c2cnn3ccccc23)c1)C1CCOCC1
InChIInChI=1S/C21H23N3O2/c1-2-23(18-9-12-26-13-10-18)21(25)17-7-5-6-16(14-17)19-15-22-24-11-4-3-8-20(19)24/h3-8,11,14-15,18H,2,9-10,12-13H2,1H3
InChIKeySOMCPZYJQDYSQD-UHFFFAOYSA-N
XLogP3.64
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide?
The IUPAC name of N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide (CID 122569865) is N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide.
What is the SMILES notation for N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide?
The canonical SMILES for N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide is CCN(C(=O)c1cccc(-c2cnn3ccccc23)c1)C1CCOCC1.
What is the InChIKey of N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide?
The InChIKey is SOMCPZYJQDYSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-23(18-9-12-26-13-10-18)21(25)17-7-5-6-16(14-17)19-15-22-24-11-4-3-8-20(19)24/h3-8,11,14-15,18H,2,9-10,12-13H2,1H3.
What are the key properties of N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide?
N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide has a molecular weight of 349.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(oxan-4-yl)-3-pyrazolo[1,5-a]pyridin-3-ylbenzamide is sourced from PubChem (CID 122569865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).