[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate

C57H68N12O15 — CID 171656034

IUPAC[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOCCOC[C@@H](O)Cn1cc(-c2ccn3ncc(C(=O)OCc4cn5ncc(C(=O)OCc6cn7ncc(C(=O)OC)c7cc6-c6cnn(C[C@H](O)COCCOC)c6C)c5cc4-c4cn(C[C@@H](O)COCCOC)nc4C)c3c2)c(C)n1
InChIInChI=1S/C57H68N12O15/c1-35-50(28-64(62-35)25-41(70)32-80-13-10-76-4)38-8-9-66-52(16-38)48(21-58-66)56(74)84-31-40-24-69-54(18-45(40)51-29-65(63-36(51)2)26-42(71)33-81-14-11-77-5)49(22-61-69)57(75)83-30-39-23-68-53(47(20-60-68)55(73)79-7)17-44(39)46-19-59-67(37(46)3)27-43(72)34-82-15-12-78-6/h8-9,16-24,28-29,41-43,70-72H,10-15,25-27,30-34H2,1-7H3/t41-,42+,43-/m0/s1
InChIKeyIVSLRMHRMGWNLD-RAVMBVKJSA-N
MW1161.24 g/mol
LogP3.72
Rot. Bonds31

About [5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate

[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 171656034) has the molecular formula C57H68N12O15 and a molecular weight of 1161.24 g/mol. Its IUPAC name is [5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID171656034
Molecular FormulaC57H68N12O15
Molecular Weight1161.24 g/mol
Exact Mass1160.49
IUPAC Name[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOCCOC[C@@H](O)Cn1cc(-c2ccn3ncc(C(=O)OCc4cn5ncc(C(=O)OCc6cn7ncc(C(=O)OC)c7cc6-c6cnn(C[C@H](O)COCCOC)c6C)c5cc4-c4cn(C[C@@H](O)COCCOC)nc4C)c3c2)c(C)n1
InChIInChI=1S/C57H68N12O15/c1-35-50(28-64(62-35)25-41(70)32-80-13-10-76-4)38-8-9-66-52(16-38)48(21-58-66)56(74)84-31-40-24-69-54(18-45(40)51-29-65(63-36(51)2)26-42(71)33-81-14-11-77-5)49(22-61-69)57(75)83-30-39-23-68-53(47(20-60-68)55(73)79-7)17-44(39)46-19-59-67(37(46)3)27-43(72)34-82-15-12-78-6/h8-9,16-24,28-29,41-43,70-72H,10-15,25-27,30-34H2,1-7H3/t41-,42+,43-/m0/s1
InChIKeyIVSLRMHRMGWNLD-RAVMBVKJSA-N
XLogP3.72
TPSA300.33 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds31
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001161.24
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

Hexakis(methyl pyrazolo[1,5-a]pyridin-8-ium-1-ide-3-carboxylate);tris(palladium(2+));hexaacetate
CID 168332577
3-[3-(Hydroxymethyl)pyrazolo[1,5-a]pyridin-5-yl]propyl pyrazolo[1,5-a]pyridine-3-carboxylate
CID 123643122
Ethyl pyrazolo[1,5-a]pyridine-3-carboxylate;propane;pyrazolo[1,5-a]pyridin-3-ylmethanol
CID 145642289
Dichloromethane;ethyl 5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;2-(3-formylpyrazolo[1,5-a]pyridin-5-yl)ethyl acetate;5-(2-hydroxyethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde;methane;phosphoryl trichloride;2-pyrazolo[1,5-a]pyridin-5-ylethanol;2-pyrazolo[1,5-a]pyridin-5-ylethyl acetate
CID 157056341
Carbanide;ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;palladium
CID 157367591
6,7-Dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;ethyl 6,7-dideuterio-5-methyl-2-(trideuteriomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 157574922
Methyl 6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;6-(prop-2-enoxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 157743146
Methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium
CID 157808504
5-[2-(2,5-Difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid;ethyl 5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 158005063
Methane;methyl 5-(aminomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(azidomethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-ethylpyrazolo[1,5-a]pyridine-3-carboxylate;methyl 5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carboxylate;yttrium
CID 158231986
Ethyl 5-bromopyrazolo[1,5-a]pyridine-3-carboxylate;5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 158757995
Ethyl but-2-ynoate;ethyl 2-methylpyrazolo[1,5-a]pyridine-3-carboxylate;2-methylpyrazolo[1,5-a]pyridine-3-carboxylic acid;pyridin-1-ium-1-amine;iodide
CID 159005045

Frequently Asked Questions

What is the IUPAC name of [5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of [5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 171656034) is [5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for [5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for [5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate is COCCOC[C@@H](O)Cn1cc(-c2ccn3ncc(C(=O)OCc4cn5ncc(C(=O)OCc6cn7ncc(C(=O)OC)c7cc6-c6cnn(C[C@H](O)COCCOC)c6C)c5cc4-c4cn(C[C@@H](O)COCCOC)nc4C)c3c2)c(C)n1.
What is the InChIKey of [5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is IVSLRMHRMGWNLD-RAVMBVKJSA-N. The full InChI is InChI=1S/C57H68N12O15/c1-35-50(28-64(62-35)25-41(70)32-80-13-10-76-4)38-8-9-66-52(16-38)48(21-58-66)56(74)84-31-40-24-69-54(18-45(40)51-29-65(63-36(51)2)26-42(71)33-81-14-11-77-5)49(22-61-69)57(75)83-30-39-23-68-53(47(20-60-68)55(73)79-7)17-44(39)46-19-59-67(37(46)3)27-43(72)34-82-15-12-78-6/h8-9,16-24,28-29,41-43,70-72H,10-15,25-27,30-34H2,1-7H3/t41-,42+,43-/m0/s1.
What are the key properties of [5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 1161.24 g/mol, XLogP of 3.72, 31 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-5-methylpyrazol-4-yl]-3-methoxycarbonylpyrazolo[1,5-a]pyridin-6-yl]methyl 5-[1-[(2R)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-(2-methoxyethoxy)propyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 171656034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).