(5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C26H30N6O5 — CID 155908683

IUPAC(5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCN(CC)c1ccc2c(C)c(CCN3C(=O)N[C@@]4(CCN(C(=O)c5cnc[nH]5)C4)C3=O)c(=O)oc2c1
InChIInChI=1S/C26H30N6O5/c1-4-30(5-2)17-6-7-18-16(3)19(23(34)37-21(18)12-17)8-10-32-24(35)26(29-25(32)36)9-11-31(14-26)22(33)20-13-27-15-28-20/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,27,28)(H,29,36)/t26-/m1/s1
InChIKeyPPPMGHIAXOKKFC-AREMUKBSSA-N
MW506.56 g/mol
LogP2.05
Rot. Bonds7

About (5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

(5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 155908683) has the molecular formula C26H30N6O5 and a molecular weight of 506.56 g/mol. Its IUPAC name is (5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID155908683
Molecular FormulaC26H30N6O5
Molecular Weight506.56 g/mol
Exact Mass506.23
IUPAC Name(5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCN(CC)c1ccc2c(C)c(CCN3C(=O)N[C@@]4(CCN(C(=O)c5cnc[nH]5)C4)C3=O)c(=O)oc2c1
InChIInChI=1S/C26H30N6O5/c1-4-30(5-2)17-6-7-18-16(3)19(23(34)37-21(18)12-17)8-10-32-24(35)26(29-25(32)36)9-11-31(14-26)22(33)20-13-27-15-28-20/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,27,28)(H,29,36)/t26-/m1/s1
InChIKeyPPPMGHIAXOKKFC-AREMUKBSSA-N
XLogP2.05
TPSA131.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione with MolForge

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Related Compounds

3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 155169556
LC kinetic stabilizer-1
CID 155169665
3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-(7H-purin-6-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 164610848
3-[2-[7-(Diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-pyrimidin-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 164612611
3-[2-[7-(Diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-8-pyrimidin-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 164612752
3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(7H-purin-6-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 164617557
3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 164624718
(2S)-6-acetamido-2-[[(2S)-6-acetamido-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide
CID 24014400
L-Lysinamide, N2-acetyl-L-arginyl-L-histidyl-L-lysyl-N6-acetyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-
CID 71295753
Trh-amc
CID 95565998
Ac-Orn(CH(NH2)2)-His-Lys-Lys(Ac)-AMC
CID 78225705
H-Arg-His-Lys-Lys(Ac)-AMC
CID 70678413

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 155908683) is (5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CCN(CC)c1ccc2c(C)c(CCN3C(=O)N[C@@]4(CCN(C(=O)c5cnc[nH]5)C4)C3=O)c(=O)oc2c1.
What is the InChIKey of (5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is PPPMGHIAXOKKFC-AREMUKBSSA-N. The full InChI is InChI=1S/C26H30N6O5/c1-4-30(5-2)17-6-7-18-16(3)19(23(34)37-21(18)12-17)8-10-32-24(35)26(29-25(32)36)9-11-31(14-26)22(33)20-13-27-15-28-20/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,27,28)(H,29,36)/t26-/m1/s1.
What are the key properties of (5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
(5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 506.56 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-7-(1H-imidazole-5-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 155908683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).