(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide

C18H26N6O — CID 56871991

IUPAC(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide
SMILESCCc1nc([C@H]2CN(C)C[C@@H]2C(=O)NCCc2cnccn2)c(C)[nH]1
InChIInChI=1S/C18H26N6O/c1-4-16-22-12(2)17(23-16)14-10-24(3)11-15(14)18(25)21-6-5-13-9-19-7-8-20-13/h7-9,14-15H,4-6,10-11H2,1-3H3,(H,21,25)(H,22,23)/t14-,15-/m0/s1
InChIKeyFLDTYIUTHVHESA-GJZGRUSLSA-N
MW342.45 g/mol
LogP1.07
Rot. Bonds6

About (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide

(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 56871991) 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-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide
PubChem CID56871991
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-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide
SMILESCCc1nc([C@H]2CN(C)C[C@@H]2C(=O)NCCc2cnccn2)c(C)[nH]1
InChIInChI=1S/C18H26N6O/c1-4-16-22-12(2)17(23-16)14-10-24(3)11-15(14)18(25)21-6-5-13-9-19-7-8-20-13/h7-9,14-15H,4-6,10-11H2,1-3H3,(H,21,25)(H,22,23)/t14-,15-/m0/s1
InChIKeyFLDTYIUTHVHESA-GJZGRUSLSA-N
XLogP1.07
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 122184249
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(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-isopropyl-1H-imidazolyl)propanoyl]-azalone-2-carboxamide
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(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-tert-butyl-1H-imidazolyl)propanoyl]-azalone-2-carboxamide
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(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-cyclohexyl-1H-imidazolyl)propanoyl]-azalone-2-carboxamide
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(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
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(4aS*,8aR*)-1-[2-(1H-imidazol-4-yl)ethyl]-6-[(1-methyl-1H-imidazol-2-yl)methyl]octahydro-1,6-naphthyridin-2(1H)-one
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3-(1H-imidazol-2-yl)-1-[(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidine
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3-(3-methylimidazol-4-yl)-1-[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
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3-(3-methylimidazol-4-yl)-1-[(3R)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
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3-(3-methylimidazol-4-yl)-1-[(3S)-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-one
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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-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide (CID 56871991) is (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide is CCc1nc([C@H]2CN(C)C[C@@H]2C(=O)NCCc2cnccn2)c(C)[nH]1.
What is the InChIKey of (3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is FLDTYIUTHVHESA-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H26N6O/c1-4-16-22-12(2)17(23-16)14-10-24(3)11-15(14)18(25)21-6-5-13-9-19-7-8-20-13/h7-9,14-15H,4-6,10-11H2,1-3H3,(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-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide?
(3R,4R)-4-(2-ethyl-5-methyl-1H-imidazol-4-yl)-1-methyl-N-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.07, 6 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-(2-pyrazin-2-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 56871991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).