methyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate

C32H34N8O6 — CID 171656259

IUPACmethyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2c(COC(=O)c3cnn4ccc(-c5cn(C[C@H](C)O)nc5C)cc34)cc(-c3cnn(C[C@H](C)O)c3C)cc12
InChIInChI=1S/C32H34N8O6/c1-18(41)14-37-16-28(20(3)36-37)22-6-7-38-29(9-22)26(12-33-38)32(44)46-17-24-8-23(25-11-34-39(21(25)4)15-19(2)42)10-30-27(31(43)45-5)13-35-40(24)30/h6-13,16,18-19,41-42H,14-15,17H2,1-5H3/t18-,19-/m0/s1
InChIKeyBWSIYMJRXHJKOG-OALUTQOASA-N
MW626.67 g/mol
LogP3.23
Rot. Bonds10

About methyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 171656259) has the molecular formula C32H34N8O6 and a molecular weight of 626.67 g/mol. Its IUPAC name is methyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-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-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID171656259
Molecular FormulaC32H34N8O6
Molecular Weight626.67 g/mol
Exact Mass626.26
IUPAC Namemethyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2c(COC(=O)c3cnn4ccc(-c5cn(C[C@H](C)O)nc5C)cc34)cc(-c3cnn(C[C@H](C)O)c3C)cc12
InChIInChI=1S/C32H34N8O6/c1-18(41)14-37-16-28(20(3)36-37)22-6-7-38-29(9-22)26(12-33-38)32(44)46-17-24-8-23(25-11-34-39(21(25)4)15-19(2)42)10-30-27(31(43)45-5)13-35-40(24)30/h6-13,16,18-19,41-42H,14-15,17H2,1-5H3/t18-,19-/m0/s1
InChIKeyBWSIYMJRXHJKOG-OALUTQOASA-N
XLogP3.23
TPSA163.30 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.67
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze methyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-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

Pyrazolo[1,5-a]pyridine-3-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester
CID 19770958
[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
CID 89927947
Cyclohexyl 2-pyridin-4-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137634765
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
CID 89927951
Ethyl 2-pyridin-4-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 102503342
Ethyl 2-(4-methoxycarbonylphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137636784
Cyclohexyl 2-(4-methoxycarbonylphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 137640554
Methyl 6-[(6-fluoro-2-phenylpyrazolo[1,5-a]pyridin-3-yl)(hydroxy)methyl]pyridine-2-carboxylate
CID 86704739
Methyl 6-[[2-phenyl-6-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl] (hydroxy)methyl]pyridine-2-carboxylate
CID 86704743
ethyl 5-[(4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 89635741
Ethyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 90094883
Ethyl 6-(hydroxymethyl)-1-prop-1-en-2-ylindolizine-2-carboxylate;ethyl 1-prop-1-en-2-yl-6-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)triazol-1-yl]methyl]indolizine-2-carboxylate
CID 157637653

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-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-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 171656259) is methyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-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-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-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-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2c(COC(=O)c3cnn4ccc(-c5cn(C[C@H](C)O)nc5C)cc34)cc(-c3cnn(C[C@H](C)O)c3C)cc12.
What is the InChIKey of methyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is BWSIYMJRXHJKOG-OALUTQOASA-N. The full InChI is InChI=1S/C32H34N8O6/c1-18(41)14-37-16-28(20(3)36-37)22-6-7-38-29(9-22)26(12-33-38)32(44)46-17-24-8-23(25-11-34-39(21(25)4)15-19(2)42)10-30-27(31(43)45-5)13-35-40(24)30/h6-13,16,18-19,41-42H,14-15,17H2,1-5H3/t18-,19-/m0/s1.
What are the key properties of methyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 626.67 g/mol, XLogP of 3.23, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(2S)-2-hydroxypropyl]-5-methylpyrazol-4-yl]-7-[[5-[1-[(2S)-2-hydroxypropyl]-3-methylpyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonyl]oxymethyl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 171656259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).