(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide

C18H26N6O — CID 56876435

IUPAC(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCc1nc([C@H]2CN(C)C[C@@H]2C(=O)NCc2cnc(C)cn2)c(C)[nH]1
InChIInChI=1S/C18H26N6O/c1-5-16-22-12(3)17(23-16)14-9-24(4)10-15(14)18(25)21-8-13-7-19-11(2)6-20-13/h6-7,14-15H,5,8-10H2,1-4H3,(H,21,25)(H,22,23)/t14-,15-/m0/s1
InChIKeyGECMLDMXENVVGE-GJZGRUSLSA-N
MW342.45 g/mol
LogP1.34
Rot. Bonds5

About (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide

(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 56876435) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID56876435
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCCc1nc([C@H]2CN(C)C[C@@H]2C(=O)NCc2cnc(C)cn2)c(C)[nH]1
InChIInChI=1S/C18H26N6O/c1-5-16-22-12(3)17(23-16)14-9-24(4)10-15(14)18(25)21-8-13-7-19-11(2)6-20-13/h6-7,14-15H,5,8-10H2,1-4H3,(H,21,25)(H,22,23)/t14-,15-/m0/s1
InChIKeyGECMLDMXENVVGE-GJZGRUSLSA-N
XLogP1.34
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide (CID 56876435) is (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide is CCc1nc([C@H]2CN(C)C[C@@H]2C(=O)NCc2cnc(C)cn2)c(C)[nH]1.
What is the InChIKey of (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is GECMLDMXENVVGE-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H26N6O/c1-5-16-22-12(3)17(23-16)14-9-24(4)10-15(14)18(25)21-8-13-7-19-11(2)6-20-13/h6-7,14-15H,5,8-10H2,1-4H3,(H,21,25)(H,22,23)/t14-,15-/m0/s1.
What are the key properties of (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide?
(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-[(5-methylpyrazin-2-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 56876435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).