[(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone

C19H24N4O2 — CID 129488106

IUPAC[(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone
SMILESCOCc1nn(C)cc1C(=O)N1C[C@@H]2CCCCN2c2ccccc21
InChIInChI=1S/C19H24N4O2/c1-21-12-15(16(20-21)13-25-2)19(24)23-11-14-7-5-6-10-22(14)17-8-3-4-9-18(17)23/h3-4,8-9,12,14H,5-7,10-11,13H2,1-2H3/t14-/m0/s1
InChIKeyZPCGBYAWIABLJC-AWEZNQCLSA-N
MW340.43 g/mol
LogP2.59
Rot. Bonds3

About [(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone

[(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone (PubChem CID 129488106) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone
PubChem CID129488106
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone
SMILESCOCc1nn(C)cc1C(=O)N1C[C@@H]2CCCCN2c2ccccc21
InChIInChI=1S/C19H24N4O2/c1-21-12-15(16(20-21)13-25-2)19(24)23-11-14-7-5-6-10-22(14)17-8-3-4-9-18(17)23/h3-4,8-9,12,14H,5-7,10-11,13H2,1-2H3/t14-/m0/s1
InChIKeyZPCGBYAWIABLJC-AWEZNQCLSA-N
XLogP2.59
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone?
The IUPAC name of [(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone (CID 129488106) is [(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone.
What is the SMILES notation for [(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone?
The canonical SMILES for [(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone is COCc1nn(C)cc1C(=O)N1C[C@@H]2CCCCN2c2ccccc21.
What is the InChIKey of [(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone?
The InChIKey is ZPCGBYAWIABLJC-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-21-12-15(16(20-21)13-25-2)19(24)23-11-14-7-5-6-10-22(14)17-8-3-4-9-18(17)23/h3-4,8-9,12,14H,5-7,10-11,13H2,1-2H3/t14-/m0/s1.
What are the key properties of [(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone?
[(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6aS)-6,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-5-yl]-[3-(methoxymethyl)-1-methylpyrazol-4-yl]methanone is sourced from PubChem (CID 129488106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).