tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid

C23H37N5O4 — CID 68646875

IUPACtert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
SMILESCc1ncc2n1CCN(C1CCN(C(=O)[C@H](N(C(=O)O)C(C)(C)C)C(C)(C)C)CC1)C2=O
InChIInChI=1S/C23H37N5O4/c1-15-24-14-17-19(29)27(13-12-26(15)17)16-8-10-25(11-9-16)20(30)18(22(2,3)4)28(21(31)32)23(5,6)7/h14,16,18H,8-13H2,1-7H3,(H,31,32)/t18-/m0/s1
InChIKeyURZXBTTVFDXOOM-SFHVURJKSA-N
MW447.58 g/mol
LogP2.83
Rot. Bonds3

About tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid

tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid (PubChem CID 68646875) has the molecular formula C23H37N5O4 and a molecular weight of 447.58 g/mol. Its IUPAC name is tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
PubChem CID68646875
Molecular FormulaC23H37N5O4
Molecular Weight447.58 g/mol
Exact Mass447.28
IUPAC Nametert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid
SMILESCc1ncc2n1CCN(C1CCN(C(=O)[C@H](N(C(=O)O)C(C)(C)C)C(C)(C)C)CC1)C2=O
InChIInChI=1S/C23H37N5O4/c1-15-24-14-17-19(29)27(13-12-26(15)17)16-8-10-25(11-9-16)20(30)18(22(2,3)4)28(21(31)32)23(5,6)7/h14,16,18H,8-13H2,1-7H3,(H,31,32)/t18-/m0/s1
InChIKeyURZXBTTVFDXOOM-SFHVURJKSA-N
XLogP2.83
TPSA98.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid with MolForge

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Related Compounds

tert-butyl-[(2R)-3-(4-cyanophenyl)-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamic acid
CID 68646954
tert-butyl N-ethyl-N-[1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 68646928
tert-butyl N-[(2R)-4-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 91005830
tert-butyl 4-(7-oxo-5H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carboxylate
CID 66853102
1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 159427910
tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(2-methyl-5-oxo-7H-imidazo[1,2-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamate
CID 131728396
1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-methylsulfinyl-1-oxobutan-2-yl]urea
CID 58858026
6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 134787640
[(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxo-5-phenylpentan-2-yl]carbamic acid
CID 68646784
1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-[(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)methyl]piperidin-1-yl]-1-oxobutan-2-yl]urea
CID 58858008
tert-butyl 4-(4-cyano-2,3-dioxopiperidin-1-yl)piperidine-1-carboxylate
CID 71813991
tert-butyl N-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxobutan-2-yl]carbamate
CID 90728140

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid (CID 68646875) is tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid is Cc1ncc2n1CCN(C1CCN(C(=O)[C@H](N(C(=O)O)C(C)(C)C)C(C)(C)C)CC1)C2=O.
What is the InChIKey of tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
The InChIKey is URZXBTTVFDXOOM-SFHVURJKSA-N. The full InChI is InChI=1S/C23H37N5O4/c1-15-24-14-17-19(29)27(13-12-26(15)17)16-8-10-25(11-9-16)20(30)18(22(2,3)4)28(21(31)32)23(5,6)7/h14,16,18H,8-13H2,1-7H3,(H,31,32)/t18-/m0/s1.
What are the key properties of tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid?
tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid has a molecular weight of 447.58 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-3,3-dimethyl-1-[4-(3-methyl-8-oxo-5,6-dihydroimidazo[1,5-a]pyrazin-7-yl)piperidin-1-yl]-1-oxobutan-2-yl]carbamic acid is sourced from PubChem (CID 68646875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).