2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

C25H27N5O3 — CID 31929401

IUPAC2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1cccn2c(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)c(-c3ccccc3)nc12
InChIInChI=1S/C25H27N5O3/c1-17-10-9-15-29-21(17)27-20(18-11-5-3-6-12-18)22(29)26-19(31)16-30-23(32)25(28(2)24(30)33)13-7-4-8-14-25/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,26,31)
InChIKeyJFRXDAGBCCWWSJ-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.85
Rot. Bonds4

About 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide

2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (PubChem CID 31929401) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
PubChem CID31929401
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
SMILESCc1cccn2c(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)c(-c3ccccc3)nc12
InChIInChI=1S/C25H27N5O3/c1-17-10-9-15-29-21(17)27-20(18-11-5-3-6-12-18)22(29)26-19(31)16-30-23(32)25(28(2)24(30)33)13-7-4-8-14-25/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,26,31)
InChIKeyJFRXDAGBCCWWSJ-UHFFFAOYSA-N
XLogP3.85
TPSA87.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The IUPAC name of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide (CID 31929401) is 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The canonical SMILES for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is Cc1cccn2c(NC(=O)CN3C(=O)N(C)C4(CCCCC4)C3=O)c(-c3ccccc3)nc12.
What is the InChIKey of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
The InChIKey is JFRXDAGBCCWWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17-10-9-15-29-21(17)27-20(18-11-5-3-6-12-18)22(29)26-19(31)16-30-23(32)25(28(2)24(30)33)13-7-4-8-14-25/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,26,31).
What are the key properties of 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide?
2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide has a molecular weight of 445.52 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide is sourced from PubChem (CID 31929401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).