butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine

C27H41F2N5O2 — CID 177040895

IUPACbutanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine
SMILESCCCC(=O)F.CCCc1c(N2CCNCC2)ccnc1C.COC.Cc1cn2ccc(F)cc2n1
InChIInChI=1S/C13H21N3.C8H7FN2.C4H7FO.C2H6O/c1-3-4-12-11(2)15-6-5-13(12)16-9-7-14-8-10-16;1-6-5-11-3-2-7(9)4-8(11)10-6;1-2-3-4(5)6;1-3-2/h5-6,14H,3-4,7-10H2,1-2H3;2-5H,1H3;2-3H2,1H3;1-2H3
InChIKeyVVLKSWNBAYRCGJ-UHFFFAOYSA-N
MW505.65 g/mol
LogP5.08
Rot. Bonds5

About butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine

butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine (PubChem CID 177040895) has the molecular formula C27H41F2N5O2 and a molecular weight of 505.65 g/mol. Its IUPAC name is butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine.

Molecular Properties

Compound Namebutanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine
PubChem CID177040895
Molecular FormulaC27H41F2N5O2
Molecular Weight505.65 g/mol
Exact Mass505.32
IUPAC Namebutanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine
SMILESCCCC(=O)F.CCCc1c(N2CCNCC2)ccnc1C.COC.Cc1cn2ccc(F)cc2n1
InChIInChI=1S/C13H21N3.C8H7FN2.C4H7FO.C2H6O/c1-3-4-12-11(2)15-6-5-13(12)16-9-7-14-8-10-16;1-6-5-11-3-2-7(9)4-8(11)10-6;1-2-3-4(5)6;1-3-2/h5-6,14H,3-4,7-10H2,1-2H3;2-5H,1H3;2-3H2,1H3;1-2H3
InChIKeyVVLKSWNBAYRCGJ-UHFFFAOYSA-N
XLogP5.08
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.65
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one
CID 177040757
N-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)butanamide;2-methyl-4-piperidin-4-yl-3-propylpyridine
CID 177040535
1-[4-(3,3-dimethylpiperazin-1-yl)-3-propyl-2-pyridinyl]-9-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)nonan-5-one;molecular hydrogen
CID 177040016
ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one
CID 177041228
2-[[4-(3,3-dimethylpiperazin-1-yl)-3-propyl-2-pyridinyl]methyl]-7-(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)hept-1-en-3-one;molecular hydrogen
CID 177040792
3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;2,6-dimethyl-5-propylpyrazolo[3,4-b]pyridine;pentan-2-one
CID 177040595
1-[2-methyl-3-propyl-6-(trifluoromethyl)-4-pyridinyl]piperazine
CID 177040771
2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one
CID 177040578
8-(2-methyl-3-propyl-4-pyridinyl)-2-oxa-5,8-diazaspiro[3.5]nonane
CID 177040445
1-(6-cyclopropyl-2-methyl-3-propyl-4-pyridinyl)-3,3-dimethylpiperazine;6-ethyl-7-fluoro-2,8-dimethylimidazo[1,2-a]pyridine;pentan-2-one
CID 177040099
butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane
CID 177040837
N-[6-[(Z)-2-aminoprop-1-enyl]-3-methoxypyridazin-4-yl]butanamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine
CID 177040477

Frequently Asked Questions

What is the IUPAC name of butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine?
The IUPAC name of butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine (CID 177040895) is butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine.
What is the SMILES notation for butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine?
The canonical SMILES for butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine is CCCC(=O)F.CCCc1c(N2CCNCC2)ccnc1C.COC.Cc1cn2ccc(F)cc2n1.
What is the InChIKey of butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine?
The InChIKey is VVLKSWNBAYRCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.C8H7FN2.C4H7FO.C2H6O/c1-3-4-12-11(2)15-6-5-13(12)16-9-7-14-8-10-16;1-6-5-11-3-2-7(9)4-8(11)10-6;1-2-3-4(5)6;1-3-2/h5-6,14H,3-4,7-10H2,1-2H3;2-5H,1H3;2-3H2,1H3;1-2H3.
What are the key properties of butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine?
butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine has a molecular weight of 505.65 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine is sourced from PubChem (CID 177040895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).