ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate

C25H23N3O3 — CID 90556619

IUPACethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C25H23N3O3/c1-2-31-25(30)22-17-26-28-14-13-20(15-23(22)28)27-24(29)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,21H,2,16H2,1H3,(H,27,29)
InChIKeyIXTCFLRWXGAVHO-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.67
Rot. Bonds7

About ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate

ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 90556619) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID90556619
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Nameethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1cnn2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc12
InChIInChI=1S/C25H23N3O3/c1-2-31-25(30)22-17-26-28-14-13-20(15-23(22)28)27-24(29)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,21H,2,16H2,1H3,(H,27,29)
InChIKeyIXTCFLRWXGAVHO-UHFFFAOYSA-N
XLogP4.67
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-[(2-phenoxyacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556593
ethyl 5-[(2-chloroacetyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556540
ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797808
ethyl 5-[(2-methylbenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797784
ethyl 5-[(2-chlorobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797786
ethyl 5-[(2-bromobenzoyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797787
ethyl 5-[[2-(4-fluorophenyl)sulfanylacetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556650
ethyl 5-[[2-(4-ethoxyphenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556610
ethyl 5-(3,3-diphenylpropanoylamino)-1-methylpyrazole-4-carboxylate
CID 108738872
ethyl 5-[(4-phenyloxane-4-carbonyl)amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797817
ethyl 5-[(3-methoxyphenyl)carbamoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556693
ethyl 5-[[2-(trifluoromethyl)phenyl]carbamoylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90556717

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 90556619) is ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1cnn2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc12.
What is the InChIKey of ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is IXTCFLRWXGAVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-2-31-25(30)22-17-26-28-14-13-20(15-23(22)28)27-24(29)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-15,17,21H,2,16H2,1H3,(H,27,29).
What are the key properties of ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate?
ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 413.48 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,3-diphenylpropanoylamino)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 90556619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).