8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one

C24H30N8O — CID 141415398

IUPAC8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCNCc1ccc(-c2cnc(-c3nc(N4CCC5(CCN(C)C5=O)CC4)cnc3N)[nH]2)cc1
InChIInChI=1S/C24H30N8O/c1-26-13-16-3-5-17(6-4-16)18-14-28-22(29-18)20-21(25)27-15-19(30-20)32-11-8-24(9-12-32)7-10-31(2)23(24)33/h3-6,14-15,26H,7-13H2,1-2H3,(H2,25,27)(H,28,29)
InChIKeyVSOCGCINQKPCGN-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.28
Rot. Bonds5

About 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one

8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 141415398) has the molecular formula C24H30N8O and a molecular weight of 446.56 g/mol. Its IUPAC name is 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID141415398
Molecular FormulaC24H30N8O
Molecular Weight446.56 g/mol
Exact Mass446.25
IUPAC Name8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCNCc1ccc(-c2cnc(-c3nc(N4CCC5(CCN(C)C5=O)CC4)cnc3N)[nH]2)cc1
InChIInChI=1S/C24H30N8O/c1-26-13-16-3-5-17(6-4-16)18-14-28-22(29-18)20-21(25)27-15-19(30-20)32-11-8-24(9-12-32)7-10-31(2)23(24)33/h3-6,14-15,26H,7-13H2,1-2H3,(H2,25,27)(H,28,29)
InChIKeyVSOCGCINQKPCGN-UHFFFAOYSA-N
XLogP2.28
TPSA116.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

Bag-1
CID 25025860
N-[4-(1H-Imidazol-4-yl)-butyl]-3,3-di-pyridin-2-yl-propionamide
CID 23562989
methyl N-[(1S)-1-[(2S)-2-[5-[4-[4-[2-[8-acetyl-3-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-3,8-diazaspiro[4.5]decan-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 58313126
methyl 3-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 58313176
N-[(1S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-acetamido-3-methyl-butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]-2-methyl-propyl]acetamide
CID 67146713
methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]piperidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67522658
CID 147338912
CID 147338912
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-4-ylphenyl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506638
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506671
1-(2-Phenyl-3H-imidazol-4-ylmethyl)-4-pyridin-2-yl-piperazine
CID 2812861
3-(3-benzyl-3H-imidazo[4,5-b]pyridin-2-yl)-N-butylpropanamide
CID 20867282
4-[4-[2-(1H-imidazol-5-yl)ethylamino]pyrimidin-5-yl]-N,N-dimethylbenzamide
CID 3235310

Frequently Asked Questions

What is the IUPAC name of 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 141415398) is 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CNCc1ccc(-c2cnc(-c3nc(N4CCC5(CCN(C)C5=O)CC4)cnc3N)[nH]2)cc1.
What is the InChIKey of 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is VSOCGCINQKPCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O/c1-26-13-16-3-5-17(6-4-16)18-14-28-22(29-18)20-21(25)27-15-19(30-20)32-11-8-24(9-12-32)7-10-31(2)23(24)33/h3-6,14-15,26H,7-13H2,1-2H3,(H2,25,27)(H,28,29).
What are the key properties of 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 446.56 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-amino-6-[5-[4-(methylaminomethyl)phenyl]-1H-imidazol-2-yl]pyrazin-2-yl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 141415398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).