(6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C23H28N6O3 — CID 95072749

IUPAC(6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESC[C@]1(C(=O)NC2CCCC2)Cn2cnc(C(=O)NCc3cccnc3)c2C(=O)N1C1CC1
InChIInChI=1S/C23H28N6O3/c1-23(22(32)27-16-6-2-3-7-16)13-28-14-26-18(19(28)21(31)29(23)17-8-9-17)20(30)25-12-15-5-4-10-24-11-15/h4-5,10-11,14,16-17H,2-3,6-9,12-13H2,1H3,(H,25,30)(H,27,32)/t23-/m1/s1
InChIKeyVWHODEHXJRCDDF-HSZRJFAPSA-N
MW436.52 g/mol
LogP1.64
Rot. Bonds6

About (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072749) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name(6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID95072749
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name(6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESC[C@]1(C(=O)NC2CCCC2)Cn2cnc(C(=O)NCc3cccnc3)c2C(=O)N1C1CC1
InChIInChI=1S/C23H28N6O3/c1-23(22(32)27-16-6-2-3-7-16)13-28-14-26-18(19(28)21(31)29(23)17-8-9-17)20(30)25-12-15-5-4-10-24-11-15/h4-5,10-11,14,16-17H,2-3,6-9,12-13H2,1H3,(H,25,30)(H,27,32)/t23-/m1/s1
InChIKeyVWHODEHXJRCDDF-HSZRJFAPSA-N
XLogP1.64
TPSA109.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide with MolForge

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Related Compounds

(6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072786
(6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072510
(6R)-1-N-cyclohexyl-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072645
6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084063
1-N-benzyl-7-cyclopropyl-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084322
(6S)-6-N-[(2-chlorophenyl)methyl]-1-N-cyclooctyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95073016
1-N-(3-chlorophenyl)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53007510
1-N-benzyl-6-N-[(2-chlorophenyl)methyl]-7-cyclopropyl-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084353
7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084351
(6R)-7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95073006
(6R)-1-N-cycloheptyl-7-cyclopropyl-6-N-[(2-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072899
6-N-cyclopentyl-1-N-[(3-methoxyphenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084026

Frequently Asked Questions

What is the IUPAC name of (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 95072749) is (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is C[C@]1(C(=O)NC2CCCC2)Cn2cnc(C(=O)NCc3cccnc3)c2C(=O)N1C1CC1.
What is the InChIKey of (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is VWHODEHXJRCDDF-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-23(22(32)27-16-6-2-3-7-16)13-28-14-26-18(19(28)21(31)29(23)17-8-9-17)20(30)25-12-15-5-4-10-24-11-15/h4-5,10-11,14,16-17H,2-3,6-9,12-13H2,1H3,(H,25,30)(H,27,32)/t23-/m1/s1.
What are the key properties of (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
(6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 436.52 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-N-cyclopentyl-7-cyclopropyl-6-methyl-8-oxo-1-N-(pyridin-3-ylmethyl)-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).