propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C22H26N6O4S — CID 46871387

IUPACpropan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1nc(S(C)(=O)=O)ccc1Nc1nccn2c(C3=CCN(C(=O)OC(C)C)CC3)cnc12
InChIInChI=1S/C22H26N6O4S/c1-14(2)32-22(29)27-10-7-16(8-11-27)18-13-24-21-20(23-9-12-28(18)21)26-17-5-6-19(25-15(17)3)33(4,30)31/h5-7,9,12-14H,8,10-11H2,1-4H3,(H,23,26)
InChIKeyDQHUPTZWMCDKED-UHFFFAOYSA-N
MW470.56 g/mol
LogP3.21
Rot. Bonds5

About propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 46871387) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID46871387
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC Namepropan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1nc(S(C)(=O)=O)ccc1Nc1nccn2c(C3=CCN(C(=O)OC(C)C)CC3)cnc12
InChIInChI=1S/C22H26N6O4S/c1-14(2)32-22(29)27-10-7-16(8-11-27)18-13-24-21-20(23-9-12-28(18)21)26-17-5-6-19(25-15(17)3)33(4,30)31/h5-7,9,12-14H,8,10-11H2,1-4H3,(H,23,26)
InChIKeyDQHUPTZWMCDKED-UHFFFAOYSA-N
XLogP3.21
TPSA118.79 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 46871387) is propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1nc(S(C)(=O)=O)ccc1Nc1nccn2c(C3=CCN(C(=O)OC(C)C)CC3)cnc12.
What is the InChIKey of propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is DQHUPTZWMCDKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S/c1-14(2)32-22(29)27-10-7-16(8-11-27)18-13-24-21-20(23-9-12-28(18)21)26-17-5-6-19(25-15(17)3)33(4,30)31/h5-7,9,12-14H,8,10-11H2,1-4H3,(H,23,26).
What are the key properties of propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 470.56 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[8-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyrazin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 46871387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).