methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate

C15H19N3O3 — CID 146558753

IUPACmethyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(N3CCCOCCC3)ccc12
InChIInChI=1S/C15H19N3O3/c1-20-15(19)13-10-16-18-11-12(4-5-14(13)18)17-6-2-8-21-9-3-7-17/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyKPQGGRMWEWUYTH-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.74
Rot. Bonds2

About methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 146558753) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID146558753
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Namemethyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCOC(=O)c1cnn2cc(N3CCCOCCC3)ccc12
InChIInChI=1S/C15H19N3O3/c1-20-15(19)13-10-16-18-11-12(4-5-14(13)18)17-6-2-8-21-9-3-7-17/h4-5,10-11H,2-3,6-9H2,1H3
InChIKeyKPQGGRMWEWUYTH-UHFFFAOYSA-N
XLogP1.74
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
4-(3-methylpyrazolo[1,5-a]pyridin-6-yl)morpholine
CID 170144843
methyl 6-methoxypyrazolo[1,5-a]pyrazine-3-carboxylate
CID 178051745
1-[6-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 166773600
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135
methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 118661482
methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate
CID 171655729
1-[6-[(3S)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 134286617
6-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680674
methyl 6-propan-2-ylpyrazolo[1,5-a]pyrazine-3-carboxylate
CID 178051922
1-[6-(3,3-difluoropyrrolidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 134286614

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate (CID 146558753) is methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate is COC(=O)c1cnn2cc(N3CCCOCCC3)ccc12.
What is the InChIKey of methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is KPQGGRMWEWUYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-20-15(19)13-10-16-18-11-12(4-5-14(13)18)17-6-2-8-21-9-3-7-17/h4-5,10-11H,2-3,6-9H2,1H3.
What are the key properties of methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 289.33 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1,5-oxazocan-5-yl)pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 146558753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).