N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide

C21H20N6O3 — CID 56512925

IUPACN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C1NC(=O)C2(CCC(C(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)CC2)N1
InChIInChI=1S/C21H20N6O3/c28-17(14-6-8-21(9-7-14)18(29)25-20(30)26-21)23-15-4-2-13(3-5-15)16-12-27-11-1-10-22-19(27)24-16/h1-5,10-12,14H,6-9H2,(H,23,28)(H2,25,26,29,30)
InChIKeyMEVCQFMZRXJHOL-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.10
Rot. Bonds3

About N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 56512925) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
PubChem CID56512925
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide
SMILESO=C1NC(=O)C2(CCC(C(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)CC2)N1
InChIInChI=1S/C21H20N6O3/c28-17(14-6-8-21(9-7-14)18(29)25-20(30)26-21)23-15-4-2-13(3-5-15)16-12-27-11-1-10-22-19(27)24-16/h1-5,10-12,14H,6-9H2,(H,23,28)(H2,25,26,29,30)
InChIKeyMEVCQFMZRXJHOL-UHFFFAOYSA-N
XLogP2.10
TPSA117.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)cyclopentane-1-carboxamide
CID 110015358
(2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939459
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
(3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122285632
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-morpholin-4-ylacetamide
CID 75499509
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)cyclopentanecarboxamide
CID 7080197
4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride
CID 120939461
2-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)ethene-1,1,2-tricarbonitrile
CID 168610794
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide
CID 75417013
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-propylpentanamide
CID 20868684
4-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 121033065

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide (CID 56512925) is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide is O=C1NC(=O)C2(CCC(C(=O)Nc3ccc(-c4cn5cccnc5n4)cc3)CC2)N1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
The InChIKey is MEVCQFMZRXJHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c28-17(14-6-8-21(9-7-14)18(29)25-20(30)26-21)23-15-4-2-13(3-5-15)16-12-27-11-1-10-22-19(27)24-16/h1-5,10-12,14H,6-9H2,(H,23,28)(H2,25,26,29,30).
What are the key properties of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide?
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 56512925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).