[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

C25H30N6O2 — CID 124984370

IUPAC[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1
InChIInChI=1S/C25H30N6O2/c32-25(20-6-8-21(9-7-20)33-16-15-29-11-2-1-3-12-29)31-13-4-5-23(31)22-17-27-18-24(28-22)30-14-10-26-19-30/h6-10,14,17-19,23H,1-5,11-13,15-16H2/t23-/m1/s1
InChIKeyNKFWZTWQWOKLHI-HSZRJFAPSA-N
MW446.56 g/mol
LogP3.50
Rot. Bonds7

About [(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (PubChem CID 124984370) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is [(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
PubChem CID124984370
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1
InChIInChI=1S/C25H30N6O2/c32-25(20-6-8-21(9-7-20)33-16-15-29-11-2-1-3-12-29)31-13-4-5-23(31)22-17-27-18-24(28-22)30-14-10-26-19-30/h6-10,14,17-19,23H,1-5,11-13,15-16H2/t23-/m1/s1
InChIKeyNKFWZTWQWOKLHI-HSZRJFAPSA-N
XLogP3.50
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 95838452
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95838459
[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95838332
[4-(3-piperidin-1-ylpropoxy)phenyl]-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 59640597
(2-imidazol-1-yl-4-pyridinyl)-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 94616496
(2-imidazol-1-yl-4-pyridinyl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 51092101
2-imidazol-1-yl-6-[1-(2-phenoxyethyl)piperidin-4-yl]pyridine
CID 95839123
[4-[2-(dimethylamino)ethoxy]phenyl]-[(2R)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124939502
(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 78921306
2-imidazol-1-yl-6-[(2S)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]pyrazine
CID 95838554
[2-[6-[(3-fluorophenyl)methyl]pyrazin-2-yl]pyrrolidin-1-yl]-[4-(2-methoxyethoxy)phenyl]methanone
CID 110094589
[4-(2-methoxyethoxy)phenyl]-[(2S)-2-(2-pyridin-2-ylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 124961803

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The IUPAC name of [(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone (CID 124984370) is [(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone.
What is the SMILES notation for [(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The canonical SMILES for [(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is O=C(c1ccc(OCCN2CCCCC2)cc1)N1CCC[C@@H]1c1cncc(-n2ccnc2)n1.
What is the InChIKey of [(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
The InChIKey is NKFWZTWQWOKLHI-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N6O2/c32-25(20-6-8-21(9-7-20)33-16-15-29-11-2-1-3-12-29)31-13-4-5-23(31)22-17-27-18-24(28-22)30-14-10-26-19-30/h6-10,14,17-19,23H,1-5,11-13,15-16H2/t23-/m1/s1.
What are the key properties of [(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone?
[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone has a molecular weight of 446.56 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone is sourced from PubChem (CID 124984370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).