oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine

C17H23N3O5 — CID 71711797

IUPACoxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
SMILESO=C(O)C(=O)O.c1ccn2nc(OCCCCN3CCCC3)cc2c1
InChIInChI=1S/C15H21N3O.C2H2O4/c1-2-11-18-14(7-1)13-15(16-18)19-12-6-5-10-17-8-3-4-9-17;3-1(4)2(5)6/h1-2,7,11,13H,3-6,8-10,12H2;(H,3,4)(H,5,6)
InChIKeyANVGKVNQZPCKBA-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.74
Rot. Bonds6

About oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine

oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine (PubChem CID 71711797) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Nameoxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
PubChem CID71711797
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Nameoxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
SMILESO=C(O)C(=O)O.c1ccn2nc(OCCCCN3CCCC3)cc2c1
InChIInChI=1S/C15H21N3O.C2H2O4/c1-2-11-18-14(7-1)13-15(16-18)19-12-6-5-10-17-8-3-4-9-17;3-1(4)2(5)6/h1-2,7,11,13H,3-6,8-10,12H2;(H,3,4)(H,5,6)
InChIKeyANVGKVNQZPCKBA-UHFFFAOYSA-N
XLogP1.74
TPSA104.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(azepan-1-yl)butoxy]pyrazolo[1,5-a]pyridine
CID 71712215
methane;2-(4-piperidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine
CID 158648204
2-[4-(4-piperidin-1-ylpiperidin-1-yl)butoxy]pyrazolo[1,5-a]pyridine
CID 71712010
bis((Z)-but-2-enedioic acid);2-[4-(4-cyclohexylpiperazin-1-yl)butoxy]pyrazolo[1,5-a]pyridine
CID 71711950
bis((Z)-but-2-enedioic acid);2-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethoxy]pyrazolo[1,5-a]pyridine
CID 71712150
2-(2-pyrazolo[1,5-a]pyridin-2-yloxyethyl)-3,4-dihydro-1H-isoquinoline
CID 71712147
1-[4-(2-fluorophenoxy)butyl]azepane;oxalic acid
CID 2943940
oxalic acid;1-[5-(3-phenylphenoxy)pentyl]azepane
CID 155512264
N,N-diethyl-2-pyrazolo[1,5-a]pyridin-2-yloxyethanamine
CID 71711790
oxalic acid;1-[4-(4-pyrrolidin-1-ylbutoxy)phenyl]ethanone
CID 2950389
2-[4-(azepan-1-yl)butoxy]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;(Z)-but-2-enedioic acid
CID 71711400
2-(3-pyrrolidin-1-ylpropoxy)quinoline-6-carboxylic acid;hydrochloride
CID 122585506

Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine?
The IUPAC name of oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine (CID 71711797) is oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine?
The canonical SMILES for oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine is O=C(O)C(=O)O.c1ccn2nc(OCCCCN3CCCC3)cc2c1.
What is the InChIKey of oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine?
The InChIKey is ANVGKVNQZPCKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.C2H2O4/c1-2-11-18-14(7-1)13-15(16-18)19-12-6-5-10-17-8-3-4-9-17;3-1(4)2(5)6/h1-2,7,11,13H,3-6,8-10,12H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine?
oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine has a molecular weight of 349.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-(4-pyrrolidin-1-ylbutoxy)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 71711797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).