ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate

C25H28F3N5O3 — CID 155166972

IUPACethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(C3CCN(C)CC3)c(CC)c2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H28F3N5O3/c1-4-16-20-13-19(30-23(34)18-7-6-8-21(29-18)25(26,27)28)17(24(35)36-5-2)14-33(20)31-22(16)15-9-11-32(3)12-10-15/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,30,34)
InChIKeyQHPYNHUIRUVVEO-UHFFFAOYSA-N
MW503.53 g/mol
LogP4.55
Rot. Bonds6

About ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate

ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 155166972) has the molecular formula C25H28F3N5O3 and a molecular weight of 503.53 g/mol. Its IUPAC name is ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
PubChem CID155166972
Molecular FormulaC25H28F3N5O3
Molecular Weight503.53 g/mol
Exact Mass503.21
IUPAC Nameethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1cn2nc(C3CCN(C)CC3)c(CC)c2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C25H28F3N5O3/c1-4-16-20-13-19(30-23(34)18-7-6-8-21(29-18)25(26,27)28)17(24(35)36-5-2)14-33(20)31-22(16)15-9-11-32(3)12-10-15/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,30,34)
InChIKeyQHPYNHUIRUVVEO-UHFFFAOYSA-N
XLogP4.55
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate (CID 155166972) is ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate is CCOC(=O)c1cn2nc(C3CCN(C)CC3)c(CC)c2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is QHPYNHUIRUVVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O3/c1-4-16-20-13-19(30-23(34)18-7-6-8-21(29-18)25(26,27)28)17(24(35)36-5-2)14-33(20)31-22(16)15-9-11-32(3)12-10-15/h6-8,13-15H,4-5,9-12H2,1-3H3,(H,30,34).
What are the key properties of ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate?
ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 503.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 155166972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).