3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

C22H21ClN8O2S — CID 46871143

IUPAC3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1nc(S(C)(=O)=O)ccc1Nc1nccn2c(C3=CCN(c4ncc(Cl)cn4)CC3)cnc12
InChIInChI=1S/C22H21ClN8O2S/c1-14-17(3-4-19(28-14)34(2,32)33)29-20-21-25-13-18(31(21)10-7-24-20)15-5-8-30(9-6-15)22-26-11-16(23)12-27-22/h3-5,7,10-13H,6,8-9H2,1-2H3,(H,24,29)
InChIKeyMYFKALWYOJYFAE-UHFFFAOYSA-N
MW496.98 g/mol
LogP3.32
Rot. Bonds5

About 3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine

3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 46871143) has the molecular formula C22H21ClN8O2S and a molecular weight of 496.98 g/mol. Its IUPAC name is 3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID46871143
Molecular FormulaC22H21ClN8O2S
Molecular Weight496.98 g/mol
Exact Mass496.12
IUPAC Name3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCc1nc(S(C)(=O)=O)ccc1Nc1nccn2c(C3=CCN(c4ncc(Cl)cn4)CC3)cnc12
InChIInChI=1S/C22H21ClN8O2S/c1-14-17(3-4-19(28-14)34(2,32)33)29-20-21-25-13-18(31(21)10-7-24-20)15-5-8-30(9-6-15)22-26-11-16(23)12-27-22/h3-5,7,10-13H,6,8-9H2,1-2H3,(H,24,29)
InChIKeyMYFKALWYOJYFAE-UHFFFAOYSA-N
XLogP3.32
TPSA118.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.98
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine (CID 46871143) is 3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is Cc1nc(S(C)(=O)=O)ccc1Nc1nccn2c(C3=CCN(c4ncc(Cl)cn4)CC3)cnc12.
What is the InChIKey of 3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is MYFKALWYOJYFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN8O2S/c1-14-17(3-4-19(28-14)34(2,32)33)29-20-21-25-13-18(31(21)10-7-24-20)15-5-8-30(9-6-15)22-26-11-16(23)12-27-22/h3-5,7,10-13H,6,8-9H2,1-2H3,(H,24,29).
What are the key properties of 3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine?
3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 496.98 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-4-yl]-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 46871143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).