methyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate

C16H23N3O3 — CID 118674897

IUPACmethyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCCCOc1ccc2c(C(=O)OC)cnn2c1CN(C)C
InChIInChI=1S/C16H23N3O3/c1-5-6-9-22-15-8-7-13-12(16(20)21-4)10-17-19(13)14(15)11-18(2)3/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyXAGKQGPUCRSZML-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.36
Rot. Bonds7

About methyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate

methyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 118674897) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is methyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate
PubChem CID118674897
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Namemethyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate
SMILESCCCCOc1ccc2c(C(=O)OC)cnn2c1CN(C)C
InChIInChI=1S/C16H23N3O3/c1-5-6-9-22-15-8-7-13-12(16(20)21-4)10-17-19(13)14(15)11-18(2)3/h7-8,10H,5-6,9,11H2,1-4H3
InChIKeyXAGKQGPUCRSZML-UHFFFAOYSA-N
XLogP2.36
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of methyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate (CID 118674897) is methyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate is CCCCOc1ccc2c(C(=O)OC)cnn2c1CN(C)C.
What is the InChIKey of methyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is XAGKQGPUCRSZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-5-6-9-22-15-8-7-13-12(16(20)21-4)10-17-19(13)14(15)11-18(2)3/h7-8,10H,5-6,9,11H2,1-4H3.
What are the key properties of methyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate?
methyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-butoxy-7-[(dimethylamino)methyl]pyrazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 118674897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).