7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one

C27H32ClN5O6S2 — CID 69076179

IUPAC7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESCOCC12CN(S(=O)(=O)c3cc4cc(Cl)ccc4n3S(=O)(=O)c3ccccc3)CC(=O)N1CC1(CCNCC1)N2C
InChIInChI=1S/C27H32ClN5O6S2/c1-30-26(10-12-29-13-11-26)17-32-24(34)16-31(18-27(30,32)19-39-2)41(37,38)25-15-20-14-21(28)8-9-23(20)33(25)40(35,36)22-6-4-3-5-7-22/h3-9,14-15,29H,10-13,16-19H2,1-2H3
InChIKeyOURRTCSHLORVIP-UHFFFAOYSA-N
MW622.17 g/mol
LogP1.77
Rot. Bonds6

About 7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one

7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one (PubChem CID 69076179) has the molecular formula C27H32ClN5O6S2 and a molecular weight of 622.17 g/mol. Its IUPAC name is 7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one.

Molecular Properties

Compound Name7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one
PubChem CID69076179
Molecular FormulaC27H32ClN5O6S2
Molecular Weight622.17 g/mol
Exact Mass621.15
IUPAC Name7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESCOCC12CN(S(=O)(=O)c3cc4cc(Cl)ccc4n3S(=O)(=O)c3ccccc3)CC(=O)N1CC1(CCNCC1)N2C
InChIInChI=1S/C27H32ClN5O6S2/c1-30-26(10-12-29-13-11-26)17-32-24(34)16-31(18-27(30,32)19-39-2)41(37,38)25-15-20-14-21(28)8-9-23(20)33(25)40(35,36)22-6-4-3-5-7-22/h3-9,14-15,29H,10-13,16-19H2,1-2H3
InChIKeyOURRTCSHLORVIP-UHFFFAOYSA-N
XLogP1.77
TPSA121.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.17
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[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-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one?
The IUPAC name of 7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one (CID 69076179) is 7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one.
What is the SMILES notation for 7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one?
The canonical SMILES for 7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one is COCC12CN(S(=O)(=O)c3cc4cc(Cl)ccc4n3S(=O)(=O)c3ccccc3)CC(=O)N1CC1(CCNCC1)N2C.
What is the InChIKey of 7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one?
The InChIKey is OURRTCSHLORVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN5O6S2/c1-30-26(10-12-29-13-11-26)17-32-24(34)16-31(18-27(30,32)19-39-2)41(37,38)25-15-20-14-21(28)8-9-23(20)33(25)40(35,36)22-6-4-3-5-7-22/h3-9,14-15,29H,10-13,16-19H2,1-2H3.
What are the key properties of 7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one?
7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one has a molecular weight of 622.17 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(benzenesulfonyl)-5-chloroindol-2-yl]sulfonyl-8a-(methoxymethyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one is sourced from PubChem (CID 69076179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).