ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate

C22H21F3N4O4 — CID 155186639

IUPACethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H21F3N4O4/c1-2-33-21(31)15-12-29-14(10-17(28-29)13-6-8-32-9-7-13)11-18(15)27-20(30)16-4-3-5-19(26-16)22(23,24)25/h3-5,10-13H,2,6-9H2,1H3,(H,27,30)
InChIKeyQUKFIQRKWBGPMT-UHFFFAOYSA-N
MW462.43 g/mol
LogP4.07
Rot. Bonds5

About ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate

ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 155186639) has the molecular formula C22H21F3N4O4 and a molecular weight of 462.43 g/mol. Its IUPAC name is ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
PubChem CID155186639
Molecular FormulaC22H21F3N4O4
Molecular Weight462.43 g/mol
Exact Mass462.15
IUPAC Nameethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C22H21F3N4O4/c1-2-33-21(31)15-12-29-14(10-17(28-29)13-6-8-32-9-7-13)11-18(15)27-20(30)16-4-3-5-19(26-16)22(23,24)25/h3-5,10-13H,2,6-9H2,1H3,(H,27,30)
InChIKeyQUKFIQRKWBGPMT-UHFFFAOYSA-N
XLogP4.07
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate (CID 155186639) is ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate is CCOC(=O)c1cn2nc(C3CCOCC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is QUKFIQRKWBGPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O4/c1-2-33-21(31)15-12-29-14(10-17(28-29)13-6-8-32-9-7-13)11-18(15)27-20(30)16-4-3-5-19(26-16)22(23,24)25/h3-5,10-13H,2,6-9H2,1H3,(H,27,30).
What are the key properties of ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate?
ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 462.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 155186639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).