7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one

C23H27ClF3N5O5S — CID 11965679

IUPAC7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESCOCC12CN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC(=O)N1CC1(CCN(C(=O)C(F)(F)F)CC1)N2C
InChIInChI=1S/C23H27ClF3N5O5S/c1-29-21(5-7-30(8-6-21)20(34)23(25,26)27)12-32-19(33)11-31(13-22(29,32)14-37-2)38(35,36)18-10-15-9-16(24)3-4-17(15)28-18/h3-4,9-10,28H,5-8,11-14H2,1-2H3
InChIKeyVXAVUJSOUFQARC-UHFFFAOYSA-N
MW578.01 g/mol
LogP1.87
Rot. Bonds4

About 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one

7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one (PubChem CID 11965679) has the molecular formula C23H27ClF3N5O5S and a molecular weight of 578.01 g/mol. Its IUPAC name is 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one.

Molecular Properties

Compound Name7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one
PubChem CID11965679
Molecular FormulaC23H27ClF3N5O5S
Molecular Weight578.01 g/mol
Exact Mass577.14
IUPAC Name7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESCOCC12CN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC(=O)N1CC1(CCN(C(=O)C(F)(F)F)CC1)N2C
InChIInChI=1S/C23H27ClF3N5O5S/c1-29-21(5-7-30(8-6-21)20(34)23(25,26)27)12-32-19(33)11-31(13-22(29,32)14-37-2)38(35,36)18-10-15-9-16(24)3-4-17(15)28-18/h3-4,9-10,28H,5-8,11-14H2,1-2H3
InChIKeyVXAVUJSOUFQARC-UHFFFAOYSA-N
XLogP1.87
TPSA106.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.01
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one?
The IUPAC name of 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one (CID 11965679) is 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one.
What is the SMILES notation for 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one?
The canonical SMILES for 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one is COCC12CN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC(=O)N1CC1(CCN(C(=O)C(F)(F)F)CC1)N2C.
What is the InChIKey of 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one?
The InChIKey is VXAVUJSOUFQARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClF3N5O5S/c1-29-21(5-7-30(8-6-21)20(34)23(25,26)27)12-32-19(33)11-31(13-22(29,32)14-37-2)38(35,36)18-10-15-9-16(24)3-4-17(15)28-18/h3-4,9-10,28H,5-8,11-14H2,1-2H3.
What are the key properties of 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one?
7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one has a molecular weight of 578.01 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1-methyl-1'-(2,2,2-trifluoroacetyl)spiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one is sourced from PubChem (CID 11965679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).