4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine

C22H26N6O5S — CID 24561483

IUPAC4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N6O5S/c29-28(30)19-4-5-20(21(15-19)34(31,32)27-11-13-33-14-12-27)25-9-7-24(8-10-25)16-18-17-26-6-2-1-3-22(26)23-18/h1-6,15,17H,7-14,16H2
InChIKeyVJMUDMQPTMKDEY-UHFFFAOYSA-N
MW486.55 g/mol
LogP1.59
Rot. Bonds6

About 4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine

4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine (PubChem CID 24561483) has the molecular formula C22H26N6O5S and a molecular weight of 486.55 g/mol. Its IUPAC name is 4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine
PubChem CID24561483
Molecular FormulaC22H26N6O5S
Molecular Weight486.55 g/mol
Exact Mass486.17
IUPAC Name4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C22H26N6O5S/c29-28(30)19-4-5-20(21(15-19)34(31,32)27-11-13-33-14-12-27)25-9-7-24(8-10-25)16-18-17-26-6-2-1-3-22(26)23-18/h1-6,15,17H,7-14,16H2
InChIKeyVJMUDMQPTMKDEY-UHFFFAOYSA-N
XLogP1.59
TPSA113.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 24528669
2-[[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 18101778
1-[4-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperazin-1-yl]ethanone
CID 3276698
2-[[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 18101780
4-[5-nitro-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]sulfonylmorpholine
CID 26451906
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 22197062
4-[4-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)-1,4-diazepan-1-yl]benzonitrile
CID 55828668
5-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 146084118
2-[[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 42889667
1-methyl-4-[2-(4-methylpiperazin-1-yl)sulfonyl-4-nitrophenyl]piperazine
CID 2920412
4-(2-ethyl-5-nitrophenyl)sulfonylmorpholine
CID 47454150
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 11516033

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine?
The IUPAC name of 4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine (CID 24561483) is 4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine?
The canonical SMILES for 4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine is O=[N+]([O-])c1ccc(N2CCN(Cc3cn4ccccc4n3)CC2)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine?
The InChIKey is VJMUDMQPTMKDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O5S/c29-28(30)19-4-5-20(21(15-19)34(31,32)27-11-13-33-14-12-27)25-9-7-24(8-10-25)16-18-17-26-6-2-1-3-22(26)23-18/h1-6,15,17H,7-14,16H2.
What are the key properties of 4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine?
4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine has a molecular weight of 486.55 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-5-nitrophenyl]sulfonylmorpholine is sourced from PubChem (CID 24561483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).