2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C21H25FN4O4 — CID 171914736

IUPAC2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCC(=O)N1CCC2(CC1)CC(C(=O)O)N(C(=O)c1nc3ccc(C)cn3c1F)C2
InChIInChI=1S/C21H25FN4O4/c1-3-16(27)24-8-6-21(7-9-24)10-14(20(29)30)26(12-21)19(28)17-18(22)25-11-13(2)4-5-15(25)23-17/h4-5,11,14H,3,6-10,12H2,1-2H3,(H,29,30)
InChIKeyAPPHABNHRKTJHF-UHFFFAOYSA-N
MW416.45 g/mol
LogP2.10
Rot. Bonds3

About 2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 171914736) has the molecular formula C21H25FN4O4 and a molecular weight of 416.45 g/mol. Its IUPAC name is 2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID171914736
Molecular FormulaC21H25FN4O4
Molecular Weight416.45 g/mol
Exact Mass416.19
IUPAC Name2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCC(=O)N1CCC2(CC1)CC(C(=O)O)N(C(=O)c1nc3ccc(C)cn3c1F)C2
InChIInChI=1S/C21H25FN4O4/c1-3-16(27)24-8-6-21(7-9-24)10-14(20(29)30)26(12-21)19(28)17-18(22)25-11-13(2)4-5-15(25)23-17/h4-5,11,14H,3,6-10,12H2,1-2H3,(H,29,30)
InChIKeyAPPHABNHRKTJHF-UHFFFAOYSA-N
XLogP2.10
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 171914736) is 2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCC(=O)N1CCC2(CC1)CC(C(=O)O)N(C(=O)c1nc3ccc(C)cn3c1F)C2.
What is the InChIKey of 2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is APPHABNHRKTJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O4/c1-3-16(27)24-8-6-21(7-9-24)10-14(20(29)30)26(12-21)19(28)17-18(22)25-11-13(2)4-5-15(25)23-17/h4-5,11,14H,3,6-10,12H2,1-2H3,(H,29,30).
What are the key properties of 2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 416.45 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-8-propanoyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 171914736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).