[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C18H21N7O — CID 125004251

IUPAC[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cnc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)[nH]1
InChIInChI=1S/C18H21N7O/c1-12-8-21-17(23-12)16-15(19-5-6-20-16)13-4-3-7-25(11-13)18(26)14-9-22-24(2)10-14/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeySXHDXVGAHQWBEB-CYBMUJFWSA-N
MW351.41 g/mol
LogP1.93
Rot. Bonds3

About [(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 125004251) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is [(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID125004251
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cnc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)[nH]1
InChIInChI=1S/C18H21N7O/c1-12-8-21-17(23-12)16-15(19-5-6-20-16)13-4-3-7-25(11-13)18(26)14-9-22-24(2)10-14/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeySXHDXVGAHQWBEB-CYBMUJFWSA-N
XLogP1.93
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

[3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110110996
(3,5-difluorophenyl)-[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 124967094
(1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110257135
[3-[3-(2-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110256626
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
cyclopentyl-[4-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]methanone
CID 110099989
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124989647
[(3S)-3-[3-(4-chlorophenoxy)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95823148
2-[1-[(3,5-difluorophenyl)methyl]piperidin-3-yl]-3-(5-methyl-1H-imidazol-2-yl)pyrazine
CID 110110617
[(3S)-3-(3,5-dimethylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 92564091
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110090247

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 125004251) is [(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1cnc(-c2nccnc2[C@@H]2CCCN(C(=O)c3cnn(C)c3)C2)[nH]1.
What is the InChIKey of [(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is SXHDXVGAHQWBEB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N7O/c1-12-8-21-17(23-12)16-15(19-5-6-20-16)13-4-3-7-25(11-13)18(26)14-9-22-24(2)10-14/h5-6,8-10,13H,3-4,7,11H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of [(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[3-(5-methyl-1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 125004251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).