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

C22H29N7O4S — CID 70691135

IUPAC4-[6-(6-methoxy-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOc1ccc(-c2cn3cc(CN4CCN(S(C)(=O)=O)CC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H29N7O4S/c1-32-20-4-3-17(13-23-20)19-16-28-15-18(14-26-5-7-29(8-6-26)34(2,30)31)24-21(28)22(25-19)27-9-11-33-12-10-27/h3-4,13,15-16H,5-12,14H2,1-2H3
InChIKeyYUPVNUIHUHNTSY-UHFFFAOYSA-N
MW487.59 g/mol
LogP0.71
Rot. Bonds6

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

4-[6-(6-methoxy-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 70691135) has the molecular formula C22H29N7O4S and a molecular weight of 487.59 g/mol. Its IUPAC name is 4-[6-(6-methoxy-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[6-(6-methoxy-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID70691135
Molecular FormulaC22H29N7O4S
Molecular Weight487.59 g/mol
Exact Mass487.20
IUPAC Name4-[6-(6-methoxy-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCOc1ccc(-c2cn3cc(CN4CCN(S(C)(=O)=O)CC4)nc3c(N3CCOCC3)n2)cn1
InChIInChI=1S/C22H29N7O4S/c1-32-20-4-3-17(13-23-20)19-16-28-15-18(14-26-5-7-29(8-6-26)34(2,30)31)24-21(28)22(25-19)27-9-11-33-12-10-27/h3-4,13,15-16H,5-12,14H2,1-2H3
InChIKeyYUPVNUIHUHNTSY-UHFFFAOYSA-N
XLogP0.71
TPSA105.40 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(6-methoxy-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[6-(6-methoxy-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 70691135) is 4-[6-(6-methoxy-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-methoxy-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[6-(6-methoxy-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is COc1ccc(-c2cn3cc(CN4CCN(S(C)(=O)=O)CC4)nc3c(N3CCOCC3)n2)cn1.
What is the InChIKey of 4-[6-(6-methoxy-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is YUPVNUIHUHNTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O4S/c1-32-20-4-3-17(13-23-20)19-16-28-15-18(14-26-5-7-29(8-6-26)34(2,30)31)24-21(28)22(25-19)27-9-11-33-12-10-27/h3-4,13,15-16H,5-12,14H2,1-2H3.
What are the key properties of 4-[6-(6-methoxy-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[6-(6-methoxy-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 487.59 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(6-methoxy-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 70691135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).