(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

C25H29N5O3 — CID 155901419

IUPAC(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
SMILESCN(C)C(=O)[C@@H]1C[C@@H]2CN(C(=O)Nc3ccccc3)CCN2[C@@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C25H29N5O3/c1-27(2)22(31)20-15-18-16-29(24(33)26-17-9-5-4-6-10-17)13-14-30(18)25(20)19-11-7-8-12-21(19)28(3)23(25)32/h4-12,18,20H,13-16H2,1-3H3,(H,26,33)/t18-,20+,25-/m1/s1
InChIKeyVFXYOHZJQLVFRV-KNOQFWTLSA-N
MW447.54 g/mol
LogP2.18
Rot. Bonds2

About (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

(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 (PubChem CID 155901419) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID155901419
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name(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
SMILESCN(C)C(=O)[C@@H]1C[C@@H]2CN(C(=O)Nc3ccccc3)CCN2[C@@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C25H29N5O3/c1-27(2)22(31)20-15-18-16-29(24(33)26-17-9-5-4-6-10-17)13-14-30(18)25(20)19-11-7-8-12-21(19)28(3)23(25)32/h4-12,18,20H,13-16H2,1-3H3,(H,26,33)/t18-,20+,25-/m1/s1
InChIKeyVFXYOHZJQLVFRV-KNOQFWTLSA-N
XLogP2.18
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (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 with MolForge

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Related Compounds

(2S,3S,8R)-1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
CID 86771857
1'-methyl-N-(4-methylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
CID 22553781
1'-methyl-6-(4-methylpiperidine-1-carbonyl)spiro[1,2,3,6,7,8-hexahydropyrrolizine-5,3'-indole]-2'-one
CID 126459377
(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
N-(2-chlorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
CID 22553750
N-(2-bromo-4,6-difluorophenyl)-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
CID 22553782
1'-methyl-N-(3-morpholin-4-ylpropyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
CID 126459541
(8aR)-2-(2-methoxyethyl)-3-oxo-N-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75368528
1'-acetyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxylic acid
CID 53212917
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
4-[methyl(propan-2-yl)amino]-N-phenylpiperidine-1-carboxamide
CID 3451208
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN(C)C(=O)[C@@H]1C[C@@H]2CN(C(=O)Nc3ccccc3)CCN2[C@@]12C(=O)N(C)c1ccccc12.
What is the InChIKey of (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?
The InChIKey is VFXYOHZJQLVFRV-KNOQFWTLSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-27(2)22(31)20-15-18-16-29(24(33)26-17-9-5-4-6-10-17)13-14-30(18)25(20)19-11-7-8-12-21(19)28(3)23(25)32/h4-12,18,20H,13-16H2,1-3H3,(H,26,33)/t18-,20+,25-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 447.54 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 155901419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).