4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

C22H29N7O3S — CID 70682714

IUPAC4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCc1ccc(-c2cn3cc(CN4CCN(S(C)(=O)=O)CC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H29N7O3S/c1-17-3-4-18(13-23-17)20-16-28-15-19(14-26-5-7-29(8-6-26)33(2,30)31)24-21(28)22(25-20)27-9-11-32-12-10-27/h3-4,13,15-16H,5-12,14H2,1-2H3
InChIKeyNAVNXMQAACIGMC-UHFFFAOYSA-N
MW471.59 g/mol
LogP1.01
Rot. Bonds5

About 4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 70682714) has the molecular formula C22H29N7O3S and a molecular weight of 471.59 g/mol. Its IUPAC name is 4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID70682714
Molecular FormulaC22H29N7O3S
Molecular Weight471.59 g/mol
Exact Mass471.21
IUPAC Name4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCc1ccc(-c2cn3cc(CN4CCN(S(C)(=O)=O)CC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H29N7O3S/c1-17-3-4-18(13-23-17)20-16-28-15-19(14-26-5-7-29(8-6-26)33(2,30)31)24-21(28)22(25-20)27-9-11-32-12-10-27/h3-4,13,15-16H,5-12,14H2,1-2H3
InChIKeyNAVNXMQAACIGMC-UHFFFAOYSA-N
XLogP1.01
TPSA96.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 70682714) is 4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is Cc1ccc(-c2cn3cc(CN4CCN(S(C)(=O)=O)CC4)nc3c(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is NAVNXMQAACIGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O3S/c1-17-3-4-18(13-23-17)20-16-28-15-19(14-26-5-7-29(8-6-26)33(2,30)31)24-21(28)22(25-20)27-9-11-32-12-10-27/h3-4,13,15-16H,5-12,14H2,1-2H3.
What are the key properties of 4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 471.59 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 70682714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).