(6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C26H37N5O3 — CID 92749858

IUPAC(6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@@]1(C)C(=O)NCCC(C)C
InChIInChI=1S/C26H37N5O3/c1-6-15-31-24(33)22-21(23(32)27-14-12-20-9-7-19(4)8-10-20)29-17-30(22)16-26(31,5)25(34)28-13-11-18(2)3/h7-10,17-18H,6,11-16H2,1-5H3,(H,27,32)(H,28,34)/t26-/m0/s1
InChIKeyGWYDEUBJZBXOHB-SANMLTNESA-N
MW467.61 g/mol
LogP2.95
Rot. Bonds10

About (6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 92749858) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is (6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID92749858
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC Name(6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@@]1(C)C(=O)NCCC(C)C
InChIInChI=1S/C26H37N5O3/c1-6-15-31-24(33)22-21(23(32)27-14-12-20-9-7-19(4)8-10-20)29-17-30(22)16-26(31,5)25(34)28-13-11-18(2)3/h7-10,17-18H,6,11-16H2,1-5H3,(H,27,32)(H,28,34)/t26-/m0/s1
InChIKeyGWYDEUBJZBXOHB-SANMLTNESA-N
XLogP2.95
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide with MolForge

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Related Compounds

6-methyl-6-N-(3-methylbutyl)-8-oxo-1-N-(2-phenylethyl)-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 50792423
(6R)-6-methyl-1-N-(3-methylbutyl)-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072149
1-N-[2-(4-chlorophenyl)ethyl]-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083874
(6R)-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072137
(6R)-1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 92749879
1-N-[(3-bromophenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 50792449
1-N-[2-(4-chlorophenyl)ethyl]-6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083927
(6R)-1-N-[(5-bromo-2-methoxyphenyl)methyl]-6-methyl-6-N-(3-methylbutyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 98318114
(6S)-6-methyl-1-N-[(3-methylphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072150
(6S)-6-methyl-6-N-[(4-methylphenyl)methyl]-1-N-(3-morpholin-4-ylpropyl)-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072144
6-N-[(4-fluorophenyl)methyl]-6-methyl-8-oxo-1-N-propan-2-yl-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083932
6-N-benzyl-6-methyl-1-N-[(3-methylphenyl)methyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53083856

Frequently Asked Questions

What is the IUPAC name of (6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of (6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (CID 92749858) is (6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for (6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for (6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is CCCN1C(=O)c2c(C(=O)NCCc3ccc(C)cc3)ncn2C[C@@]1(C)C(=O)NCCC(C)C.
What is the InChIKey of (6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is GWYDEUBJZBXOHB-SANMLTNESA-N. The full InChI is InChI=1S/C26H37N5O3/c1-6-15-31-24(33)22-21(23(32)27-14-12-20-9-7-19(4)8-10-20)29-17-30(22)16-26(31,5)25(34)28-13-11-18(2)3/h7-10,17-18H,6,11-16H2,1-5H3,(H,27,32)(H,28,34)/t26-/m0/s1.
What are the key properties of (6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
(6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 467.61 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-methyl-6-N-(3-methylbutyl)-1-N-[2-(4-methylphenyl)ethyl]-8-oxo-7-propyl-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 92749858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).