N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine

C22H22N8O2S — CID 46871228

IUPACN-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1nc(S(C)(=O)=O)ccc1Nc1nccn2c(C3=CCN(c4ncccn4)CC3)cnc12
InChIInChI=1S/C22H22N8O2S/c1-15-17(4-5-19(27-15)33(2,31)32)28-20-21-26-14-18(30(21)13-10-23-20)16-6-11-29(12-7-16)22-24-8-3-9-25-22/h3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,23,28)
InChIKeyXZPJXAMJLNBOSS-UHFFFAOYSA-N
MW462.54 g/mol
LogP2.66
Rot. Bonds5

About N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine

N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 46871228) has the molecular formula C22H22N8O2S and a molecular weight of 462.54 g/mol. Its IUPAC name is N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID46871228
Molecular FormulaC22H22N8O2S
Molecular Weight462.54 g/mol
Exact Mass462.16
IUPAC NameN-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1nc(S(C)(=O)=O)ccc1Nc1nccn2c(C3=CCN(c4ncccn4)CC3)cnc12
InChIInChI=1S/C22H22N8O2S/c1-15-17(4-5-19(27-15)33(2,31)32)28-20-21-26-14-18(30(21)13-10-23-20)16-6-11-29(12-7-16)22-24-8-3-9-25-22/h3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,23,28)
InChIKeyXZPJXAMJLNBOSS-UHFFFAOYSA-N
XLogP2.66
TPSA118.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine (CID 46871228) is N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine is Cc1nc(S(C)(=O)=O)ccc1Nc1nccn2c(C3=CCN(c4ncccn4)CC3)cnc12.
What is the InChIKey of N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is XZPJXAMJLNBOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2S/c1-15-17(4-5-19(27-15)33(2,31)32)28-20-21-26-14-18(30(21)13-10-23-20)16-6-11-29(12-7-16)22-24-8-3-9-25-22/h3-6,8-10,13-14H,7,11-12H2,1-2H3,(H,23,28).
What are the key properties of N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine?
N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 462.54 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-3-(1-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-4-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 46871228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).