[(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

C20H24N6O — CID 125024124

IUPAC[(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC[C@@H]2c2cn3cccc3c(N(C)C)n2)cn1
InChIInChI=1S/C20H24N6O/c1-14-11-22-15(12-21-14)20(27)26-10-5-4-7-17(26)16-13-25-9-6-8-18(25)19(23-16)24(2)3/h6,8-9,11-13,17H,4-5,7,10H2,1-3H3/t17-/m1/s1
InChIKeyZDDWIXACGWUPGF-QGZVFWFLSA-N
MW364.45 g/mol
LogP2.87
Rot. Bonds3

About [(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone

[(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 125024124) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is [(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID125024124
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name[(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC[C@@H]2c2cn3cccc3c(N(C)C)n2)cn1
InChIInChI=1S/C20H24N6O/c1-14-11-22-15(12-21-14)20(27)26-10-5-4-7-17(26)16-13-25-9-6-8-18(25)19(23-16)24(2)3/h6,8-9,11-13,17H,4-5,7,10H2,1-3H3/t17-/m1/s1
InChIKeyZDDWIXACGWUPGF-QGZVFWFLSA-N
XLogP2.87
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 125024124) is [(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCCC[C@@H]2c2cn3cccc3c(N(C)C)n2)cn1.
What is the InChIKey of [(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is ZDDWIXACGWUPGF-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-11-22-15(12-21-14)20(27)26-10-5-4-7-17(26)16-13-25-9-6-8-18(25)19(23-16)24(2)3/h6,8-9,11-13,17H,4-5,7,10H2,1-3H3/t17-/m1/s1.
What are the key properties of [(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone?
[(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 125024124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).