methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate

C34H38N8O8 — CID 171656298

IUPACmethyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC[C@@H](O)Cn1cc(-c2ccn3ncc(C(=O)OCc4cn5ncc(C(=O)OC)c5cc4-c4cnn(C[C@H](O)COC)c4C)c3c2)c(C)n1
InChIInChI=1S/C34H38N8O8/c1-20-30(16-39(38-20)14-24(43)18-47-3)22-6-7-40-31(8-22)29(12-35-40)34(46)50-17-23-13-42-32(28(11-37-42)33(45)49-5)9-26(23)27-10-36-41(21(27)2)15-25(44)19-48-4/h6-13,16,24-25,43-44H,14-15,17-19H2,1-5H3/t24-,25-/m0/s1
InChIKeyJXAWTYYIVAMPFT-DQEYMECFSA-N
MW686.73 g/mol
LogP2.48
Rot. Bonds14

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

methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 171656298) has the molecular formula C34H38N8O8 and a molecular weight of 686.73 g/mol. Its IUPAC name is methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID171656298
Molecular FormulaC34H38N8O8
Molecular Weight686.73 g/mol
Exact Mass686.28
IUPAC Namemethyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC[C@@H](O)Cn1cc(-c2ccn3ncc(C(=O)OCc4cn5ncc(C(=O)OC)c5cc4-c4cnn(C[C@H](O)COC)c4C)c3c2)c(C)n1
InChIInChI=1S/C34H38N8O8/c1-20-30(16-39(38-20)14-24(43)18-47-3)22-6-7-40-31(8-22)29(12-35-40)34(46)50-17-23-13-42-32(28(11-37-42)33(45)49-5)9-26(23)27-10-36-41(21(27)2)15-25(44)19-48-4/h6-13,16,24-25,43-44H,14-15,17-19H2,1-5H3/t24-,25-/m0/s1
InChIKeyJXAWTYYIVAMPFT-DQEYMECFSA-N
XLogP2.48
TPSA181.76 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.73
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-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

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CID 161906727
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CID 69311379
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CID 139602298
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ethane;ethyl 7-[1-hydroxy-1-(oxan-4-yl)ethyl]-6-methylpyrrolo[1,2-b]pyridazine-5-carboxylate;methyl 5-[1-[(Z)-[2-(1-cyclohexa-1,5-dien-1-yl-1-hydroxyethyl)-4-methoxycarbonyl-3-methyl-5-propan-2-ylpyrrol-1-yl]iminomethoxy]-1-(3,4-dihydropyridin-5-yl)ethyl]-1-[(Z)-ethylideneamino]-4-methyl-2-propan-2-ylpyrrole-3-carboxylate
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CID 156887143

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 171656298) is methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-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 methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate is COC[C@@H](O)Cn1cc(-c2ccn3ncc(C(=O)OCc4cn5ncc(C(=O)OC)c5cc4-c4cnn(C[C@H](O)COC)c4C)c3c2)c(C)n1.
What is the InChIKey of methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is JXAWTYYIVAMPFT-DQEYMECFSA-N. The full InChI is InChI=1S/C34H38N8O8/c1-20-30(16-39(38-20)14-24(43)18-47-3)22-6-7-40-31(8-22)29(12-35-40)34(46)50-17-23-13-42-32(28(11-37-42)33(45)49-5)9-26(23)27-10-36-41(21(27)2)15-25(44)19-48-4/h6-13,16,24-25,43-44H,14-15,17-19H2,1-5H3/t24-,25-/m0/s1.
What are the key properties of methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 686.73 g/mol, XLogP of 2.48, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-5-methylpyrazol-4-yl]-6-[[5-[1-[(2S)-2-hydroxy-3-methoxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 171656298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).