N-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide

C20H23N3O3 — CID 67777918

IUPACN-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide
SMILESCCOc1ccc2cc(-c3ccc(OC[C@H](C)NC(C)=O)cc3)nn2c1
InChIInChI=1S/C20H23N3O3/c1-4-25-19-10-7-17-11-20(22-23(17)12-19)16-5-8-18(9-6-16)26-13-14(2)21-15(3)24/h5-12,14H,4,13H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyZMJLOCXDBSLSAY-AWEZNQCLSA-N
MW353.42 g/mol
LogP3.30
Rot. Bonds7

About N-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide

N-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide (PubChem CID 67777918) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide
PubChem CID67777918
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide
SMILESCCOc1ccc2cc(-c3ccc(OC[C@H](C)NC(C)=O)cc3)nn2c1
InChIInChI=1S/C20H23N3O3/c1-4-25-19-10-7-17-11-20(22-23(17)12-19)16-5-8-18(9-6-16)26-13-14(2)21-15(3)24/h5-12,14H,4,13H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyZMJLOCXDBSLSAY-AWEZNQCLSA-N
XLogP3.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide (CID 67777918) is N-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide is CCOc1ccc2cc(-c3ccc(OC[C@H](C)NC(C)=O)cc3)nn2c1.
What is the InChIKey of N-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide?
The InChIKey is ZMJLOCXDBSLSAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-25-19-10-7-17-11-20(22-23(17)12-19)16-5-8-18(9-6-16)26-13-14(2)21-15(3)24/h5-12,14H,4,13H2,1-3H3,(H,21,24)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide?
N-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide has a molecular weight of 353.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(6-ethoxypyrazolo[1,5-a]pyridin-2-yl)phenoxy]propan-2-yl]acetamide is sourced from PubChem (CID 67777918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).