(6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide

C23H30N4O4 — CID 155901225

IUPAC(6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@@H]2CN(C(=O)C3CCOCC3)CCN2[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H30N4O4/c1-25(2)21(29)18-13-16-14-26(20(28)15-7-11-31-12-8-15)9-10-27(16)23(18)17-5-3-4-6-19(17)24-22(23)30/h3-6,15-16,18H,7-14H2,1-2H3,(H,24,30)/t16-,18+,23-/m1/s1
InChIKeyQVDUSSPUQLPTQA-WLENULPWSA-N
MW426.52 g/mol
LogP0.88
Rot. Bonds2

About (6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide

(6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide (PubChem CID 155901225) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is (6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide.

Molecular Properties

Compound Name(6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide
PubChem CID155901225
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name(6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@@H]2CN(C(=O)C3CCOCC3)CCN2[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C23H30N4O4/c1-25(2)21(29)18-13-16-14-26(20(28)15-7-11-31-12-8-15)9-10-27(16)23(18)17-5-3-4-6-19(17)24-22(23)30/h3-6,15-16,18H,7-14H2,1-2H3,(H,24,30)/t16-,18+,23-/m1/s1
InChIKeyQVDUSSPUQLPTQA-WLENULPWSA-N
XLogP0.88
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,8R)-N-(2-hydroxyethyl)-N-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 163306683
(2R,3R,8R)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 163312369
(5R,6S,8R)-6-(piperazine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 163315487
(2S,3R,8R)-N-methyl-2'-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]spiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 164696130
(5R,6R,8R)-6-[4-(2-hydroxypropan-2-yl)piperidine-1-carbonyl]spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 163306913
(6S,7R,8aR)-7-N,7-N,1'-trimethyl-2'-oxo-2-N-phenylspiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-indole]-2,7-dicarboxamide
CID 155901419
(2S,3S,8R)-2'-oxo-N-phenylspiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 162978594
(2S,3R,8R)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 163315077
(5R,6R,8R)-6-(3-phenoxyazetidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 163309415
formic acid;(2R,3R,8R)-N-(2-morpholin-4-ylethyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 166599469
(2S,3R,8R)-N-(4-methylcyclohexyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
CID 164695936
(5R,6R,8R)-6-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carbonyl]spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-1H-indole]-2'-one
CID 163307955

Frequently Asked Questions

What is the IUPAC name of (6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide?
The IUPAC name of (6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide (CID 155901225) is (6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide.
What is the SMILES notation for (6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide?
The canonical SMILES for (6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide is CN(C)C(=O)[C@@H]1C[C@@H]2CN(C(=O)C3CCOCC3)CCN2[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide?
The InChIKey is QVDUSSPUQLPTQA-WLENULPWSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-25(2)21(29)18-13-16-14-26(20(28)15-7-11-31-12-8-15)9-10-27(16)23(18)17-5-3-4-6-19(17)24-22(23)30/h3-6,15-16,18H,7-14H2,1-2H3,(H,24,30)/t16-,18+,23-/m1/s1.
What are the key properties of (6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide?
(6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R,8aR)-N,N-dimethyl-2-(oxane-4-carbonyl)-2'-oxospiro[1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6,3'-1H-indole]-7-carboxamide is sourced from PubChem (CID 155901225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).