2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide

C25H26Cl2N4O — CID 68760755

IUPAC2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide
SMILESNN(C(=O)C(c1cccc2ccccc12)N1CCN2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C25H26Cl2N4O/c26-18-13-19(27)15-21(14-18)31(28)25(32)24(30-12-11-29-10-4-7-20(29)16-30)23-9-3-6-17-5-1-2-8-22(17)23/h1-3,5-6,8-9,13-15,20,24H,4,7,10-12,16,28H2/t20-,24?/m0/s1
InChIKeyUBGJGDKBZWSCML-QHELBMECSA-N
MW469.42 g/mol
LogP4.87
Rot. Bonds4

About 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide

2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide (PubChem CID 68760755) has the molecular formula C25H26Cl2N4O and a molecular weight of 469.42 g/mol. Its IUPAC name is 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide.

Molecular Properties

Compound Name2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide
PubChem CID68760755
Molecular FormulaC25H26Cl2N4O
Molecular Weight469.42 g/mol
Exact Mass468.15
IUPAC Name2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide
SMILESNN(C(=O)C(c1cccc2ccccc12)N1CCN2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C25H26Cl2N4O/c26-18-13-19(27)15-21(14-18)31(28)25(32)24(30-12-11-29-10-4-7-20(29)16-30)23-9-3-6-17-5-1-2-8-22(17)23/h1-3,5-6,8-9,13-15,20,24H,4,7,10-12,16,28H2/t20-,24?/m0/s1
InChIKeyUBGJGDKBZWSCML-QHELBMECSA-N
XLogP4.87
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(6-methyl-2-pyridinyl)acetamide
CID 59570409
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[2-(trifluoromethoxy)phenyl]acetic acid;dihydrochloride
CID 68767255
2-[1-(3-chlorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940142
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(2-methylphenyl)ethanamine
CID 79940900
2-naphthalen-1-yl-2-pyrrolidin-1-ylacetic acid
CID 43803532
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-1-one
CID 79916266
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-phenylbutan-1-one
CID 79943730
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)butan-2-amine
CID 79928846
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-(2,3-dichlorophenyl)ethanamine
CID 63149837
ethyl 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-pyridin-3-ylacetate
CID 59570519
N'-(3,5-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-2-naphthalen-1-ylacetohydrazide
CID 25125233

Frequently Asked Questions

What is the IUPAC name of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide?
The IUPAC name of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide (CID 68760755) is 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide.
What is the SMILES notation for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide?
The canonical SMILES for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide is NN(C(=O)C(c1cccc2ccccc12)N1CCN2CCC[C@H]2C1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide?
The InChIKey is UBGJGDKBZWSCML-QHELBMECSA-N. The full InChI is InChI=1S/C25H26Cl2N4O/c26-18-13-19(27)15-21(14-18)31(28)25(32)24(30-12-11-29-10-4-7-20(29)16-30)23-9-3-6-17-5-1-2-8-22(17)23/h1-3,5-6,8-9,13-15,20,24H,4,7,10-12,16,28H2/t20-,24?/m0/s1.
What are the key properties of 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide?
2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide has a molecular weight of 469.42 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(3,5-dichlorophenyl)-2-naphthalen-1-ylacetohydrazide is sourced from PubChem (CID 68760755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).