N-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide

C24H31ClN6O5S — CID 11964568

IUPACN-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide
SMILESCC(=O)NCC12CN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC(=O)N1CC1(CCN(C(C)=O)CC1)N2C
InChIInChI=1S/C24H31ClN6O5S/c1-16(32)26-13-24-15-30(37(35,36)21-11-18-10-19(25)4-5-20(18)27-21)12-22(34)31(24)14-23(28(24)3)6-8-29(9-7-23)17(2)33/h4-5,10-11,27H,6-9,12-15H2,1-3H3,(H,26,32)
InChIKeyUWFMTMAAOPCMKA-UHFFFAOYSA-N
MW551.07 g/mol
LogP0.81
Rot. Bonds4

About N-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide

N-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide (PubChem CID 11964568) has the molecular formula C24H31ClN6O5S and a molecular weight of 551.07 g/mol. Its IUPAC name is N-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide
PubChem CID11964568
Molecular FormulaC24H31ClN6O5S
Molecular Weight551.07 g/mol
Exact Mass550.18
IUPAC NameN-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide
SMILESCC(=O)NCC12CN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC(=O)N1CC1(CCN(C(C)=O)CC1)N2C
InChIInChI=1S/C24H31ClN6O5S/c1-16(32)26-13-24-15-30(37(35,36)21-11-18-10-19(25)4-5-20(18)27-21)12-22(34)31(24)14-23(28(24)3)6-8-29(9-7-23)17(2)33/h4-5,10-11,27H,6-9,12-15H2,1-3H3,(H,26,32)
InChIKeyUWFMTMAAOPCMKA-UHFFFAOYSA-N
XLogP0.81
TPSA126.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.07
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide?
The IUPAC name of N-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide (CID 11964568) is N-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide.
What is the SMILES notation for N-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide?
The canonical SMILES for N-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide is CC(=O)NCC12CN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC(=O)N1CC1(CCN(C(C)=O)CC1)N2C.
What is the InChIKey of N-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide?
The InChIKey is UWFMTMAAOPCMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O5S/c1-16(32)26-13-24-15-30(37(35,36)21-11-18-10-19(25)4-5-20(18)27-21)12-22(34)31(24)14-23(28(24)3)6-8-29(9-7-23)17(2)33/h4-5,10-11,27H,6-9,12-15H2,1-3H3,(H,26,32).
What are the key properties of N-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide?
N-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide has a molecular weight of 551.07 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-methyl-5-oxospiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-8a-yl]methyl]acetamide is sourced from PubChem (CID 11964568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).