8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H26N4O3 — CID 56889744

IUPAC8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CCN(C(=O)CCc3cn4ccccc4n3)CC2)CC1C(=O)O
InChIInChI=1S/C20H26N4O3/c1-22-14-20(12-16(22)19(26)27)7-10-23(11-8-20)18(25)6-5-15-13-24-9-3-2-4-17(24)21-15/h2-4,9,13,16H,5-8,10-12,14H2,1H3,(H,26,27)
InChIKeySCCAPHMCZXPCOQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.66
Rot. Bonds4

About 8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56889744) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56889744
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCN1CC2(CCN(C(=O)CCc3cn4ccccc4n3)CC2)CC1C(=O)O
InChIInChI=1S/C20H26N4O3/c1-22-14-20(12-16(22)19(26)27)7-10-23(11-8-20)18(25)6-5-15-13-24-9-3-2-4-17(24)21-15/h2-4,9,13,16H,5-8,10-12,14H2,1H3,(H,26,27)
InChIKeySCCAPHMCZXPCOQ-UHFFFAOYSA-N
XLogP1.66
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56889744) is 8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CN1CC2(CCN(C(=O)CCc3cn4ccccc4n3)CC2)CC1C(=O)O.
What is the InChIKey of 8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is SCCAPHMCZXPCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-22-14-20(12-16(22)19(26)27)7-10-23(11-8-20)18(25)6-5-15-13-24-9-3-2-4-17(24)21-15/h2-4,9,13,16H,5-8,10-12,14H2,1H3,(H,26,27).
What are the key properties of 8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56889744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).