(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone

C18H25N5O3S — CID 167829344

IUPAC(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone
SMILESCc1cnc2n1CCN(C(=O)c1cc(S(=O)(=O)N3CCCCC3)cn1C)C2
InChIInChI=1S/C18H25N5O3S/c1-14-11-19-17-13-21(8-9-23(14)17)18(24)16-10-15(12-20(16)2)27(25,26)22-6-4-3-5-7-22/h10-12H,3-9,13H2,1-2H3
InChIKeyWAJUKYNGMZWFDV-UHFFFAOYSA-N
MW391.50 g/mol
LogP1.36
Rot. Bonds3

About (3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone

(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone (PubChem CID 167829344) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is (3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone
PubChem CID167829344
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone
SMILESCc1cnc2n1CCN(C(=O)c1cc(S(=O)(=O)N3CCCCC3)cn1C)C2
InChIInChI=1S/C18H25N5O3S/c1-14-11-19-17-13-21(8-9-23(14)17)18(24)16-10-15(12-20(16)2)27(25,26)22-6-4-3-5-7-22/h10-12H,3-9,13H2,1-2H3
InChIKeyWAJUKYNGMZWFDV-UHFFFAOYSA-N
XLogP1.36
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone?
The IUPAC name of (3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone (CID 167829344) is (3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone.
What is the SMILES notation for (3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone?
The canonical SMILES for (3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone is Cc1cnc2n1CCN(C(=O)c1cc(S(=O)(=O)N3CCCCC3)cn1C)C2.
What is the InChIKey of (3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone?
The InChIKey is WAJUKYNGMZWFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-14-11-19-17-13-21(8-9-23(14)17)18(24)16-10-15(12-20(16)2)27(25,26)22-6-4-3-5-7-22/h10-12H,3-9,13H2,1-2H3.
What are the key properties of (3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone?
(3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone has a molecular weight of 391.50 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-(1-methyl-4-piperidin-1-ylsulfonylpyrrol-2-yl)methanone is sourced from PubChem (CID 167829344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).