ethyl 5-amino-2-(1-methylpiperidin-4-yl)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

C39H46F3N9O5 — CID 165108370

IUPACethyl 5-amino-2-(1-methylpiperidin-4-yl)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
SMILESCCOC(=O)c1cn2nc(C3CCN(C)CC3)cc2cc1N.CCOC(=O)c1cn2nc(C3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H24F3N5O3.C16H22N4O2/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;1-3-22-16(21)13-10-20-12(8-14(13)17)9-15(18-20)11-4-6-19(2)7-5-11/h4-6,11-14H,3,7-10H2,1-2H3,(H,28,32);8-11H,3-7,17H2,1-2H3
InChIKeyZNLPXMOXSNTMPB-UHFFFAOYSA-N
MW777.85 g/mol
LogP5.89
Rot. Bonds8

About ethyl 5-amino-2-(1-methylpiperidin-4-yl)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

ethyl 5-amino-2-(1-methylpiperidin-4-yl)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 165108370) has the molecular formula C39H46F3N9O5 and a molecular weight of 777.85 g/mol. Its IUPAC name is ethyl 5-amino-2-(1-methylpiperidin-4-yl)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.

Molecular Properties

Compound Nameethyl 5-amino-2-(1-methylpiperidin-4-yl)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 CID165108370
Molecular FormulaC39H46F3N9O5
Molecular Weight777.85 g/mol
Exact Mass777.36
IUPAC Nameethyl 5-amino-2-(1-methylpiperidin-4-yl)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
SMILESCCOC(=O)c1cn2nc(C3CCN(C)CC3)cc2cc1N.CCOC(=O)c1cn2nc(C3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H24F3N5O3.C16H22N4O2/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;1-3-22-16(21)13-10-20-12(8-14(13)17)9-15(18-20)11-4-6-19(2)7-5-11/h4-6,11-14H,3,7-10H2,1-2H3,(H,28,32);8-11H,3-7,17H2,1-2H3
InChIKeyZNLPXMOXSNTMPB-UHFFFAOYSA-N
XLogP5.89
TPSA161.69 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500777.85
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze ethyl 5-amino-2-(1-methylpiperidin-4-yl)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 with MolForge

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Related Compounds

Ethyl 5-[2-(4-fluorophenyl)acetamido]pyrazolo[1,5-a]pyridine-3-carboxylate
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ethyl 5-[(2R,4S)-4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
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ethyl 5-[(2R,4S)-2-(3-amino-5-fluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
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ethyl 5-[(2R)-2-(3-amino-5-fluorophenyl)-4,4-difluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 68353312
Ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 72673016
ethyl 5-[(2R,4S)-2-(3-fluorophenyl)-4-methanimidoylpyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 88949260
Piperidine-4-carbonyl 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 89618766
ethyl 5-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 89634200
ethyl 6-[[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 118150161
methyl 3-[4-oxo-1-(tetrahydro-2H-pyran-2-yl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyrazolo[4,3-c][1,5]naphthyridin-7-yl]pyridine-2-carboxylate
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Ethyl 5-[[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]amino]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxylate
CID 123475578

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(1-methylpiperidin-4-yl)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?
The IUPAC name of ethyl 5-amino-2-(1-methylpiperidin-4-yl)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 (CID 165108370) is ethyl 5-amino-2-(1-methylpiperidin-4-yl)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.
What is the SMILES notation for ethyl 5-amino-2-(1-methylpiperidin-4-yl)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?
The canonical SMILES for ethyl 5-amino-2-(1-methylpiperidin-4-yl)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 is CCOC(=O)c1cn2nc(C3CCN(C)CC3)cc2cc1N.CCOC(=O)c1cn2nc(C3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of ethyl 5-amino-2-(1-methylpiperidin-4-yl)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?
The InChIKey is ZNLPXMOXSNTMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3.C16H22N4O2/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;1-3-22-16(21)13-10-20-12(8-14(13)17)9-15(18-20)11-4-6-19(2)7-5-11/h4-6,11-14H,3,7-10H2,1-2H3,(H,28,32);8-11H,3-7,17H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(1-methylpiperidin-4-yl)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?
ethyl 5-amino-2-(1-methylpiperidin-4-yl)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 777.85 g/mol, XLogP of 5.89, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(1-methylpiperidin-4-yl)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 is sourced from PubChem (CID 165108370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).