2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine

C19H21N5O2 — CID 95844172

IUPAC2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine
SMILESCOc1ccc(Oc2cncc([C@H]3CCCN3Cc3ncc[nH]3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-25-14-4-6-15(7-5-14)26-19-12-20-11-16(23-19)17-3-2-10-24(17)13-18-21-8-9-22-18/h4-9,11-12,17H,2-3,10,13H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyRBCLVJKICVFRKA-QGZVFWFLSA-N
MW351.41 g/mol
LogP3.34
Rot. Bonds6

About 2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine

2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine (PubChem CID 95844172) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine.

Molecular Properties

Compound Name2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine
PubChem CID95844172
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine
SMILESCOc1ccc(Oc2cncc([C@H]3CCCN3Cc3ncc[nH]3)n2)cc1
InChIInChI=1S/C19H21N5O2/c1-25-14-4-6-15(7-5-14)26-19-12-20-11-16(23-19)17-3-2-10-24(17)13-18-21-8-9-22-18/h4-9,11-12,17H,2-3,10,13H2,1H3,(H,21,22)/t17-/m1/s1
InChIKeyRBCLVJKICVFRKA-QGZVFWFLSA-N
XLogP3.34
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenoxy)-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95843466
2-[(2S)-2-[6-(4-methoxyphenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95843435
2-phenoxy-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 110256256
N-[[6-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 110268351
2-[1-[(1,3-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-(4-fluorophenoxy)pyrazine
CID 110270220
2-[2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270026
4-[(4-fluorophenyl)methyl]-2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-methylpyridine
CID 92617266
5-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 95230095
6-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124951210
6-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylpyrazin-2-amine
CID 124951209
5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 75131153
4-[2-[(2S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]ethyl]pyridine
CID 125016132

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine?
The IUPAC name of 2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine (CID 95844172) is 2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine.
What is the SMILES notation for 2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine?
The canonical SMILES for 2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine is COc1ccc(Oc2cncc([C@H]3CCCN3Cc3ncc[nH]3)n2)cc1.
What is the InChIKey of 2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine?
The InChIKey is RBCLVJKICVFRKA-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-25-14-4-6-15(7-5-14)26-19-12-20-11-16(23-19)17-3-2-10-24(17)13-18-21-8-9-22-18/h4-9,11-12,17H,2-3,10,13H2,1H3,(H,21,22)/t17-/m1/s1.
What are the key properties of 2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine?
2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine has a molecular weight of 351.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-6-(4-methoxyphenoxy)pyrazine is sourced from PubChem (CID 95844172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).