(6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

C28H31N5O3 — CID 95072510

IUPAC(6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(C)cc2)C3)cc1
InChIInChI=1S/C28H31N5O3/c1-18-4-8-20(9-5-18)14-29-25(34)23-24-26(35)33(22-12-13-22)28(3,16-32(24)17-31-23)27(36)30-15-21-10-6-19(2)7-11-21/h4-11,17,22H,12-16H2,1-3H3,(H,29,34)(H,30,36)/t28-/m1/s1
InChIKeyBLUAJKCXZXLUOC-MUUNZHRXSA-N
MW485.59 g/mol
LogP3.12
Rot. Bonds7

About (6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide

(6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide (PubChem CID 95072510) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is (6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.

Molecular Properties

Compound Name(6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
PubChem CID95072510
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name(6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
SMILESCc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(C)cc2)C3)cc1
InChIInChI=1S/C28H31N5O3/c1-18-4-8-20(9-5-18)14-29-25(34)23-24-26(35)33(22-12-13-22)28(3,16-32(24)17-31-23)27(36)30-15-21-10-6-19(2)7-11-21/h4-11,17,22H,12-16H2,1-3H3,(H,29,34)(H,30,36)/t28-/m1/s1
InChIKeyBLUAJKCXZXLUOC-MUUNZHRXSA-N
XLogP3.12
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6S)-1-N-[2-(4-chlorophenyl)ethyl]-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072497
1-N-(4-acetylphenyl)-7-cyclopropyl-6-methyl-6-N-[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084072
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
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
6-N-benzyl-7-cyclopropyl-1-N,6-dimethyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084063
(6S)-7-cyclopropyl-1-N-[(4-ethylphenyl)methyl]-6-N-[(4-methoxyphenyl)methyl]-6-methyl-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072741
methyl 2-[[7-cyclopropyl-6-methyl-6-[(4-methylphenyl)methylcarbamoyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]benzoate
CID 20948117
(6R)-7-cyclopropyl-1-N-[(4-methoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072964
(6S)-7-cyclopropyl-6-N-[(4-fluorophenyl)methyl]-6-methyl-1-N-[(5-methylfuran-2-yl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 95072637
7-cyclopropyl-1-N-[(4-ethoxyphenyl)methyl]-6-methyl-6-N-[(3-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide
CID 53084348
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

Frequently Asked Questions

What is the IUPAC name of (6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The IUPAC name of (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) is (6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide.
What is the SMILES notation for (6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The canonical SMILES for (6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is Cc1ccc(CNC(=O)c2ncn3c2C(=O)N(C2CC2)[C@@](C)(C(=O)NCc2ccc(C)cc2)C3)cc1.
What is the InChIKey of (6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
The InChIKey is BLUAJKCXZXLUOC-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-18-4-8-20(9-5-18)14-29-25(34)23-24-26(35)33(22-12-13-22)28(3,16-32(24)17-31-23)27(36)30-15-21-10-6-19(2)7-11-21/h4-11,17,22H,12-16H2,1-3H3,(H,29,34)(H,30,36)/t28-/m1/s1.
What are the key properties of (6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide?
(6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide has a molecular weight of 485.59 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-7-cyclopropyl-6-methyl-1-N,6-N-bis[(4-methylphenyl)methyl]-8-oxo-5H-imidazo[1,5-a]pyrazine-1,6-dicarboxamide is sourced from PubChem (CID 95072510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).