[(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea

C17H26N6O5S — CID 140555862

IUPAC[(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(N)=O)CC1)C2
InChIInChI=1S/C17H26N6O5S/c1-11-19-9-13-10-22(17(26)23(11)13)12-3-6-21(7-4-12)15(24)14(20-16(18)25)5-8-29(2,27)28/h9,12,14H,3-8,10H2,1-2H3,(H3,18,20,25)/t14-/m1/s1
InChIKeyGZSITTVBWZWIHP-CQSZACIVSA-N
MW426.50 g/mol
LogP-0.56
Rot. Bonds6

About [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea

[(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea (PubChem CID 140555862) has the molecular formula C17H26N6O5S and a molecular weight of 426.50 g/mol. Its IUPAC name is [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea.

Molecular Properties

Compound Name[(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea
PubChem CID140555862
Molecular FormulaC17H26N6O5S
Molecular Weight426.50 g/mol
Exact Mass426.17
IUPAC Name[(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(N)=O)CC1)C2
InChIInChI=1S/C17H26N6O5S/c1-11-19-9-13-10-22(17(26)23(11)13)12-3-6-21(7-4-12)15(24)14(20-16(18)25)5-8-29(2,27)28/h9,12,14H,3-8,10H2,1-2H3,(H3,18,20,25)/t14-/m1/s1
InChIKeyGZSITTVBWZWIHP-CQSZACIVSA-N
XLogP-0.56
TPSA147.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea with MolForge

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Related Compounds

(4aS*,7aR*)-1-[(2-butyl-1H-imidazol-4-yl)methyl]-4-(3-methylbutanoyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 133137756
2-(4-{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}-1-piperazinyl)-N-isopropylacetamide
CID 28666213
5-{[{[1-butyl-2-(ethylsulfonyl)-1H-imidazol-5-yl]methyl}(isopropyl)amino]methyl}-2-pyrrolidinone
CID 45170410
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-ethyl-2-piperazinone
CID 45179161
N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]acetamide
CID 23084019
N-methyl-N-[(5-oxo-6-piperidin-4-yl-7H-imidazo[1,5-c]imidazol-3-yl)methyl]methanesulfonamide
CID 23084226
[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamic acid
CID 23138128
[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxohexan-2-yl]carbamic acid
CID 23138228
[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
CID 23138303
[(2S)-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-3-methylsulfanyl-1-oxobutan-2-yl]carbamic acid
CID 68646743
tert-butyl-[(2S)-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-methylsulfanyl-1-oxobutan-2-yl]carbamic acid
CID 68646913
[(2S)-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-methylsulfanyl-1-oxobutan-2-yl]carbamic acid
CID 68646957

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea?
The IUPAC name of [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea (CID 140555862) is [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea.
What is the SMILES notation for [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea?
The canonical SMILES for [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea is Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(N)=O)CC1)C2.
What is the InChIKey of [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea?
The InChIKey is GZSITTVBWZWIHP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N6O5S/c1-11-19-9-13-10-22(17(26)23(11)13)12-3-6-21(7-4-12)15(24)14(20-16(18)25)5-8-29(2,27)28/h9,12,14H,3-8,10H2,1-2H3,(H3,18,20,25)/t14-/m1/s1.
What are the key properties of [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea?
[(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea has a molecular weight of 426.50 g/mol, XLogP of -0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]urea is sourced from PubChem (CID 140555862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).