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

C16H18N4O4 — CID 171656393

IUPACmethyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC[C@@H](O)Cn1cc(-c2ccn3ncc(C(=O)OC)c3c2)cn1
InChIInChI=1S/C16H18N4O4/c1-23-10-13(21)9-19-8-12(6-17-19)11-3-4-20-15(5-11)14(7-18-20)16(22)24-2/h3-8,13,21H,9-10H2,1-2H3/t13-/m0/s1
InChIKeyGQMIRMBJHOIPMC-ZDUSSCGKSA-N
MW330.34 g/mol
LogP0.99
Rot. Bonds6

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

methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 171656393) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID171656393
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Namemethyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC[C@@H](O)Cn1cc(-c2ccn3ncc(C(=O)OC)c3c2)cn1
InChIInChI=1S/C16H18N4O4/c1-23-10-13(21)9-19-8-12(6-17-19)11-3-4-20-15(5-11)14(7-18-20)16(22)24-2/h3-8,13,21H,9-10H2,1-2H3/t13-/m0/s1
InChIKeyGQMIRMBJHOIPMC-ZDUSSCGKSA-N
XLogP0.99
TPSA90.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate with MolForge

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Related Compounds

Ethyl pyrazolo(1,5-a)pyridine-3-carboxylate
CID 2795464
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
5-(Methoxycarbonyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 123725403
Cyclohexyl 2-pyridin-4-ylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137634765
Cyclohexyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137642480
Butyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 137658202
Ethyl 2-(4-fluorophenyl)pyrazolo[1,5-A]pyridine-3-carboxylate
CID 71284143
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
CID 89927951
2-Methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 12872296
4-Methylpyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 21736469
Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate
CID 59476232

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 171656393) is methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is COC[C@@H](O)Cn1cc(-c2ccn3ncc(C(=O)OC)c3c2)cn1.
What is the InChIKey of methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is GQMIRMBJHOIPMC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-23-10-13(21)9-19-8-12(6-17-19)11-3-4-20-15(5-11)14(7-18-20)16(22)24-2/h3-8,13,21H,9-10H2,1-2H3/t13-/m0/s1.
What are the key properties of methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[(2S)-2-hydroxy-3-methoxypropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 171656393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).