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

C23H24F3N5O3 — CID 155186426

IUPACethyl 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)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H24F3N5O3/c1-3-34-22(33)16-13-31-15(11-18(29-31)14-7-9-30(2)10-8-14)12-19(16)28-21(32)17-5-4-6-20(27-17)23(24,25)26/h4-6,11-14H,3,7-10H2,1-2H3,(H,28,32)
InChIKeyHSGVSORCIYMSOR-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.99
Rot. Bonds5

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

ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 155186426) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
PubChem CID155186426
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Nameethyl 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)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H24F3N5O3/c1-3-34-22(33)16-13-31-15(11-18(29-31)14-7-9-30(2)10-8-14)12-19(16)28-21(32)17-5-4-6-20(27-17)23(24,25)26/h4-6,11-14H,3,7-10H2,1-2H3,(H,28,32)
InChIKeyHSGVSORCIYMSOR-UHFFFAOYSA-N
XLogP3.99
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

ethyl 2-(oxan-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186639
ethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186656
N,3-dimethyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide
CID 162618770
ethyl 2-[4-(phenylmethoxymethyl)cyclohexyl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate
CID 164568070
ethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155166875
N-(2-cyclohexyl-6-ethoxyindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155752149
ethyl 2-(1,4-dioxan-2-yl)-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-amino-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyridine-4-carboxylate
CID 167703691
methyl 2-(thian-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 137377327
ethyl 2-[2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-6-yl]oxyacetate
CID 162566837
N-[2-(2-hydroxyethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 129283862
N-[2-(2-iodoethyl)-6-methoxyindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164568000
methyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 121364952

Frequently Asked Questions

What is the IUPAC name of 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 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate (CID 155186426) is 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 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for 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)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is HSGVSORCIYMSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-3-34-22(33)16-13-31-15(11-18(29-31)14-7-9-30(2)10-8-14)12-19(16)28-21(32)17-5-4-6-20(27-17)23(24,25)26/h4-6,11-14H,3,7-10H2,1-2H3,(H,28,32).
What are the key properties of ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate?
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 475.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 155186426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).