ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate

C22H27N3O3 — CID 141228390

IUPACethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nn2ccccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H27N3O3/c1-2-28-21(27)20-19(17-5-3-4-6-25(17)24-20)23-18(26)13-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,2,7-13H2,1H3,(H,23,26)
InChIKeyWNSGLTGPKYQHEG-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.06
Rot. Bonds5

About ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate

ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 141228390) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID141228390
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Nameethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nn2ccccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H27N3O3/c1-2-28-21(27)20-19(17-5-3-4-6-25(17)24-20)23-18(26)13-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,2,7-13H2,1H3,(H,23,26)
InChIKeyWNSGLTGPKYQHEG-UHFFFAOYSA-N
XLogP4.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate (CID 141228390) is ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate is CCOC(=O)c1nn2ccccc2c1NC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is WNSGLTGPKYQHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-2-28-21(27)20-19(17-5-3-4-6-25(17)24-20)23-18(26)13-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,14-16H,2,7-13H2,1H3,(H,23,26).
What are the key properties of ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate?
ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 381.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(1-adamantyl)acetyl]amino]pyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 141228390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).