butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine

C35H52FN5O4 — CID 177040339

IUPACbutanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine
SMILESCCCC(=O)F.CCCc1c(N2CCC3(CN(C(=O)OC(C)(C)C)CCO3)C2)ccnc1C.Cc1cc(C)c2nc(C)cn2c1
InChIInChI=1S/C21H33N3O3.C10H12N2.C4H7FO/c1-6-7-17-16(2)22-10-8-18(17)23-11-9-21(14-23)15-24(12-13-26-21)19(25)27-20(3,4)5;1-7-4-8(2)10-11-9(3)6-12(10)5-7;1-2-3-4(5)6/h8,10H,6-7,9,11-15H2,1-5H3;4-6H,1-3H3;2-3H2,1H3
InChIKeySMXNROPXJCVMHE-UHFFFAOYSA-N
MW625.83 g/mol
LogP7.10
Rot. Bonds5

About butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine

butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine (PubChem CID 177040339) has the molecular formula C35H52FN5O4 and a molecular weight of 625.83 g/mol. Its IUPAC name is butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Namebutanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine
PubChem CID177040339
Molecular FormulaC35H52FN5O4
Molecular Weight625.83 g/mol
Exact Mass625.40
IUPAC Namebutanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine
SMILESCCCC(=O)F.CCCc1c(N2CCC3(CN(C(=O)OC(C)(C)C)CCO3)C2)ccnc1C.Cc1cc(C)c2nc(C)cn2c1
InChIInChI=1S/C21H33N3O3.C10H12N2.C4H7FO/c1-6-7-17-16(2)22-10-8-18(17)23-11-9-21(14-23)15-24(12-13-26-21)19(25)27-20(3,4)5;1-7-4-8(2)10-11-9(3)6-12(10)5-7;1-2-3-4(5)6/h8,10H,6-7,9,11-15H2,1-5H3;4-6H,1-3H3;2-3H2,1H3
InChIKeySMXNROPXJCVMHE-UHFFFAOYSA-N
XLogP7.10
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.83
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine?
The IUPAC name of butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine (CID 177040339) is butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine.
What is the SMILES notation for butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine?
The canonical SMILES for butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine is CCCC(=O)F.CCCc1c(N2CCC3(CN(C(=O)OC(C)(C)C)CCO3)C2)ccnc1C.Cc1cc(C)c2nc(C)cn2c1.
What is the InChIKey of butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine?
The InChIKey is SMXNROPXJCVMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3.C10H12N2.C4H7FO/c1-6-7-17-16(2)22-10-8-18(17)23-11-9-21(14-23)15-24(12-13-26-21)19(25)27-20(3,4)5;1-7-4-8(2)10-11-9(3)6-12(10)5-7;1-2-3-4(5)6/h8,10H,6-7,9,11-15H2,1-5H3;4-6H,1-3H3;2-3H2,1H3.
What are the key properties of butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine?
butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine has a molecular weight of 625.83 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for butanoyl fluoride;tert-butyl 2-(2-methyl-3-propyl-4-pyridinyl)-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;2,6,8-trimethylimidazo[1,2-a]pyridine is sourced from PubChem (CID 177040339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).