7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one

C23H27ClN4O6S — CID 11964809

IUPAC7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESO=C(C1CC1)N1CCC2(CC1)CN1C(=O)CN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC1(CO)O2
InChIInChI=1S/C23H27ClN4O6S/c24-17-3-4-18-16(9-17)10-19(25-18)35(32,33)27-11-20(30)28-12-22(34-23(28,13-27)14-29)5-7-26(8-6-22)21(31)15-1-2-15/h3-4,9-10,15,25,29H,1-2,5-8,11-14H2
InChIKeyPRYXYWCQDLTEAE-UHFFFAOYSA-N
MW523.01 g/mol
LogP1.14
Rot. Bonds4

About 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one

7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one (PubChem CID 11964809) has the molecular formula C23H27ClN4O6S and a molecular weight of 523.01 g/mol. Its IUPAC name is 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one.

Molecular Properties

Compound Name7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
PubChem CID11964809
Molecular FormulaC23H27ClN4O6S
Molecular Weight523.01 g/mol
Exact Mass522.13
IUPAC Name7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
SMILESO=C(C1CC1)N1CCC2(CC1)CN1C(=O)CN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC1(CO)O2
InChIInChI=1S/C23H27ClN4O6S/c24-17-3-4-18-16(9-17)10-19(25-18)35(32,33)27-11-20(30)28-12-22(34-23(28,13-27)14-29)5-7-26(8-6-22)21(31)15-1-2-15/h3-4,9-10,15,25,29H,1-2,5-8,11-14H2
InChIKeyPRYXYWCQDLTEAE-UHFFFAOYSA-N
XLogP1.14
TPSA123.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.01
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

8a-(aminomethyl)-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-propanoylspiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
CID 11964882
1-[7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-5-oxospiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-1'-yl]propane-1,2-dione
CID 11965043
1'-acetyl-7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(pyrimidin-2-yloxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
CID 11964884
7-[(5-chloro-1H-indol-2-yl)sulfonyl]-8a-(methoxymethyl)-1'-(3-methoxyprop-2-enoyl)-1-methylspiro[6,8-dihydro-3H-imidazo[1,2-a]pyrazine-2,4'-piperidine]-5-one
CID 73155302
7-[(5-chloro-1H-indol-2-yl)sulfinyl]-8a-(methoxymethyl)-1'-(2-methylprop-2-enoyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one
CID 143305366
[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-d]pyridazin-2-yl)methanone
CID 139897694
[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl)methanone
CID 139897535
[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-[5-(1-methylpiperidin-2-yl)-1,3-thiazol-2-yl]methanone
CID 22711289
[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-2-yl)methanone
CID 139898155
[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 22710734
[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-[5-[3-(dimethylamino)propyl]-1,3-thiazol-2-yl]methanone
CID 22710388
[4-[(5-chloro-1H-indol-2-yl)sulfonyl]piperazin-1-yl]-(5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-2-yl)methanethione
CID 139897470

Frequently Asked Questions

What is the IUPAC name of 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The IUPAC name of 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one (CID 11964809) is 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one.
What is the SMILES notation for 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The canonical SMILES for 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one is O=C(C1CC1)N1CCC2(CC1)CN1C(=O)CN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC1(CO)O2.
What is the InChIKey of 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
The InChIKey is PRYXYWCQDLTEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O6S/c24-17-3-4-18-16(9-17)10-19(25-18)35(32,33)27-11-20(30)28-12-22(34-23(28,13-27)14-29)5-7-26(8-6-22)21(31)15-1-2-15/h3-4,9-10,15,25,29H,1-2,5-8,11-14H2.
What are the key properties of 7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one?
7-[(5-chloro-1H-indol-2-yl)sulfonyl]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one has a molecular weight of 523.01 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 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]-1'-(cyclopropanecarbonyl)-8a-(hydroxymethyl)spiro[6,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyrazine-2,4'-piperidine]-5-one is sourced from PubChem (CID 11964809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).