N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide

C14H19N5O2S — CID 97467545

IUPACN-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cn2c(n1)CN(Cc1cccnc1)CC2
InChIInChI=1S/C14H19N5O2S/c1-22(20,21)16-8-13-10-19-6-5-18(11-14(19)17-13)9-12-3-2-4-15-7-12/h2-4,7,10,16H,5-6,8-9,11H2,1H3
InChIKeyGQTWOPWBXGIIFK-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.34
Rot. Bonds5

About N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide

N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide (PubChem CID 97467545) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
PubChem CID97467545
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cn2c(n1)CN(Cc1cccnc1)CC2
InChIInChI=1S/C14H19N5O2S/c1-22(20,21)16-8-13-10-19-6-5-18(11-14(19)17-13)9-12-3-2-4-15-7-12/h2-4,7,10,16H,5-6,8-9,11H2,1H3
InChIKeyGQTWOPWBXGIIFK-UHFFFAOYSA-N
XLogP0.34
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide (CID 97467545) is N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide is CS(=O)(=O)NCc1cn2c(n1)CN(Cc1cccnc1)CC2.
What is the InChIKey of N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
The InChIKey is GQTWOPWBXGIIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-22(20,21)16-8-13-10-19-6-5-18(11-14(19)17-13)9-12-3-2-4-15-7-12/h2-4,7,10,16H,5-6,8-9,11H2,1H3.
What are the key properties of N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide?
N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide has a molecular weight of 321.41 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(pyridin-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97467545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).