2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide

C22H25N5O3 — CID 56580134

IUPAC2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C1NC(=O)C2(CCC(C(=O)Nc3cccc(-c4cn5c(n4)CCCC5)c3)CC2)N1
InChIInChI=1S/C22H25N5O3/c28-19(14-7-9-22(10-8-14)20(29)25-21(30)26-22)23-16-5-3-4-15(12-16)17-13-27-11-2-1-6-18(27)24-17/h3-5,12-14H,1-2,6-11H2,(H,23,28)(H2,25,26,29,30)
InChIKeyCJOAHIAALIVKAV-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.59
Rot. Bonds3

About 2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide

2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 56580134) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide
PubChem CID56580134
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C1NC(=O)C2(CCC(C(=O)Nc3cccc(-c4cn5c(n4)CCCC5)c3)CC2)N1
InChIInChI=1S/C22H25N5O3/c28-19(14-7-9-22(10-8-14)20(29)25-21(30)26-22)23-16-5-3-4-15(12-16)17-13-27-11-2-1-6-18(27)24-17/h3-5,12-14H,1-2,6-11H2,(H,23,28)(H2,25,26,29,30)
InChIKeyCJOAHIAALIVKAV-UHFFFAOYSA-N
XLogP2.59
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 56581473
2,3-dichloro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 55885167
N-[3-(benzenesulfonamido)phenyl]-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 56580607
2,4-dichloro-5-fluoro-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525309
(2S)-2-methylsulfonyl-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 94495320
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
CID 56512925
1-[(4-methoxyphenyl)methyl]-3-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]urea
CID 47075960
3-(2-chlorophenyl)-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
CID 55885429
3,3-dimethyl-N-[2-oxo-2-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)anilino]ethyl]butanamide
CID 71887416
1-benzyl-6-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 55886086
N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]cyclopropanecarboxamide
CID 91664140
2,3,4-trimethoxy-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 60525962

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide (CID 56580134) is 2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide is O=C1NC(=O)C2(CCC(C(=O)Nc3cccc(-c4cn5c(n4)CCCC5)c3)CC2)N1.
What is the InChIKey of 2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is CJOAHIAALIVKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c28-19(14-7-9-22(10-8-14)20(29)25-21(30)26-22)23-16-5-3-4-15(12-16)17-13-27-11-2-1-6-18(27)24-17/h3-5,12-14H,1-2,6-11H2,(H,23,28)(H2,25,26,29,30).
What are the key properties of 2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide?
2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-1,3-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 56580134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).