methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate

C13H10ClN5O3 — CID 86626630

IUPACmethyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(Oc3cc(Cl)nc(N)n3)ccc12
InChIInChI=1S/C13H10ClN5O3/c1-21-12(20)8-5-16-19-6-7(2-3-9(8)19)22-11-4-10(14)17-13(15)18-11/h2-6H,1H3,(H2,15,17,18)
InChIKeyUYQZDXAINLYAPK-UHFFFAOYSA-N
MW319.71 g/mol
LogP1.94
Rot. Bonds3

About methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate

methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 86626630) has the molecular formula C13H10ClN5O3 and a molecular weight of 319.71 g/mol. Its IUPAC name is methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID86626630
Molecular FormulaC13H10ClN5O3
Molecular Weight319.71 g/mol
Exact Mass319.05
IUPAC Namemethyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(Oc3cc(Cl)nc(N)n3)ccc12
InChIInChI=1S/C13H10ClN5O3/c1-21-12(20)8-5-16-19-6-7(2-3-9(8)19)22-11-4-10(14)17-13(15)18-11/h2-6H,1H3,(H2,15,17,18)
InChIKeyUYQZDXAINLYAPK-UHFFFAOYSA-N
XLogP1.94
TPSA104.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.71
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-alumanylpyrazolo[1,5-a]pyridine-3-carboxylate
CID 154561873
methyl 6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate
CID 91825806
methyl 6-(2-chloro-4-nitrophenoxy)pyrazolo[1,5-a]pyridine-3-carboxylate;methyl 6-hydroxypyrazolo[1,5-a]pyridine-3-carboxylate
CID 159234404
methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 118661482
4-chloro-6-(4-methylphenoxy)pyrimidin-2-amine
CID 748214
methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate
CID 178051745
1-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 118565994
6-(2-aminopyrimidin-4-yl)oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 24763377
tert-butyl N-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]carbamate
CID 133057700
6-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680674
2-[4-(2-amino-6-chloropyrimidin-4-yl)oxyphenyl]propan-2-ol
CID 163247823
2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid
CID 118661383

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate (CID 86626630) is methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2cc(Oc3cc(Cl)nc(N)n3)ccc12.
What is the InChIKey of methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is UYQZDXAINLYAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O3/c1-21-12(20)8-5-16-19-6-7(2-3-9(8)19)22-11-4-10(14)17-13(15)18-11/h2-6H,1H3,(H2,15,17,18).
What are the key properties of methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 319.71 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-amino-6-chloropyrimidin-4-yl)oxypyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 86626630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).