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

C45H47F6N11O5 — CID 165067037

IUPACethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCCOC(=O)c1cn2nc(C3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.CNC(=O)c1cn2nc(C3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H24F3N5O3.C22H23F3N6O2/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;1-26-20(32)15-12-31-14(10-17(29-31)13-6-8-30(2)9-7-13)11-18(15)28-21(33)16-4-3-5-19(27-16)22(23,24)25/h4-6,11-14H,3,7-10H2,1-2H3,(H,28,32);3-5,10-13H,6-9H2,1-2H3,(H,26,32)(H,28,33)
InChIKeySDHMJYSUSGRINW-UHFFFAOYSA-N
MW935.93 g/mol
LogP7.16
Rot. Bonds9

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

ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide (PubChem CID 165067037) has the molecular formula C45H47F6N11O5 and a molecular weight of 935.93 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;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Nameethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide
PubChem CID165067037
Molecular FormulaC45H47F6N11O5
Molecular Weight935.93 g/mol
Exact Mass935.37
IUPAC Nameethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide
SMILESCCOC(=O)c1cn2nc(C3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.CNC(=O)c1cn2nc(C3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C23H24F3N5O3.C22H23F3N6O2/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;1-26-20(32)15-12-31-14(10-17(29-31)13-6-8-30(2)9-7-13)11-18(15)28-21(33)16-4-3-5-19(27-16)22(23,24)25/h4-6,11-14H,3,7-10H2,1-2H3,(H,28,32);3-5,10-13H,6-9H2,1-2H3,(H,26,32)(H,28,33)
InChIKeySDHMJYSUSGRINW-UHFFFAOYSA-N
XLogP7.16
TPSA180.46 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500935.93
LogP ≤ 57.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-[(2R,4S)-4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 60171692
Ethyl 5-[4-carbamoyl-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 72673016
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
CID 118898705
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
ethyl 5-[(2R)-2-[2-(3-aminopropyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 153044595
N-[(1R)-4-[5-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2,2-difluorocyclohexyl]acetamide
CID 153459239
N-[(1R)-4-[5-[6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-[[3-[(1-methoxyethenylamino)methyl]cyclobutyl]amino]pyridin-3-yl]-1,3,4-oxadiazol-2-yl]-2,2-difluorocyclohexyl]acetamide
CID 153459380
Ethyl 2-(3-hydroxy-3-methylbutyl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155166501
Ethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155166875

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;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide (CID 165067037) is ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide.
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;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide is CCOC(=O)c1cn2nc(C3CCN(C)CC3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.CNC(=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;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide?
The InChIKey is SDHMJYSUSGRINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3.C22H23F3N6O2/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;1-26-20(32)15-12-31-14(10-17(29-31)13-6-8-30(2)9-7-13)11-18(15)28-21(33)16-4-3-5-19(27-16)22(23,24)25/h4-6,11-14H,3,7-10H2,1-2H3,(H,28,32);3-5,10-13H,6-9H2,1-2H3,(H,26,32)(H,28,33).
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;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide?
ethyl 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylate;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide has a molecular weight of 935.93 g/mol, XLogP of 7.16, 9 rotatable bonds, 3 hydrogen bond donors, and 13 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;N-methyl-2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 165067037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).