[(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone

C23H24ClN3O — CID 138740253

IUPAC[(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCN2C[C@@H](c3ccc(Cl)cc3)CC[C@@H]2C1
InChIInChI=1S/C23H24ClN3O/c24-18-7-4-16(5-8-18)17-6-9-19-15-27(13-12-26(19)14-17)23(28)21-2-1-3-22-20(21)10-11-25-22/h1-5,7-8,10-11,17,19,25H,6,9,12-15H2/t17-,19+/m0/s1
InChIKeyFHDJASBIJHEEGM-PKOBYXMFSA-N
MW393.92 g/mol
LogP4.53
Rot. Bonds2

About [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone

[(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone (PubChem CID 138740253) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone.

Molecular Properties

Compound Name[(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone
PubChem CID138740253
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name[(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone
SMILESO=C(c1cccc2[nH]ccc12)N1CCN2C[C@@H](c3ccc(Cl)cc3)CC[C@@H]2C1
InChIInChI=1S/C23H24ClN3O/c24-18-7-4-16(5-8-18)17-6-9-19-15-27(13-12-26(19)14-17)23(28)21-2-1-3-22-20(21)10-11-25-22/h1-5,7-8,10-11,17,19,25H,6,9,12-15H2/t17-,19+/m0/s1
InChIKeyFHDJASBIJHEEGM-PKOBYXMFSA-N
XLogP4.53
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone?
The IUPAC name of [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone (CID 138740253) is [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone.
What is the SMILES notation for [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone?
The canonical SMILES for [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone is O=C(c1cccc2[nH]ccc12)N1CCN2C[C@@H](c3ccc(Cl)cc3)CC[C@@H]2C1.
What is the InChIKey of [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone?
The InChIKey is FHDJASBIJHEEGM-PKOBYXMFSA-N. The full InChI is InChI=1S/C23H24ClN3O/c24-18-7-4-16(5-8-18)17-6-9-19-15-27(13-12-26(19)14-17)23(28)21-2-1-3-22-20(21)10-11-25-22/h1-5,7-8,10-11,17,19,25H,6,9,12-15H2/t17-,19+/m0/s1.
What are the key properties of [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone?
[(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone has a molecular weight of 393.92 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(1H-indol-4-yl)methanone is sourced from PubChem (CID 138740253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).