8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C19H14F4N2O2 — CID 118341131

IUPAC8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(-c4ccc(OC(F)(F)F)cc4)cc(F)cc13)CCNC2=O
InChIInChI=1S/C19H14F4N2O2/c1-10-14-8-12(20)9-15(17(14)25-7-6-24-18(26)16(10)25)11-2-4-13(5-3-11)27-19(21,22)23/h2-5,8-9H,6-7H2,1H3,(H,24,26)
InChIKeyLAJUJHCHDKCXIP-UHFFFAOYSA-N
MW378.33 g/mol
LogP4.40
Rot. Bonds2

About 8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 118341131) has the molecular formula C19H14F4N2O2 and a molecular weight of 378.33 g/mol. Its IUPAC name is 8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
PubChem CID118341131
Molecular FormulaC19H14F4N2O2
Molecular Weight378.33 g/mol
Exact Mass378.10
IUPAC Name8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
SMILESCc1c2n(c3c(-c4ccc(OC(F)(F)F)cc4)cc(F)cc13)CCNC2=O
InChIInChI=1S/C19H14F4N2O2/c1-10-14-8-12(20)9-15(17(14)25-7-6-24-18(26)16(10)25)11-2-4-13(5-3-11)27-19(21,22)23/h2-5,8-9H,6-7H2,1H3,(H,24,26)
InChIKeyLAJUJHCHDKCXIP-UHFFFAOYSA-N
XLogP4.40
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 6540267
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(4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol
CID 71522495
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methoxyphenyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507829
(6S)-6-benzyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600565
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CID 122600761
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CID 56598999
1H-Indole-2-carboxamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071647
3-cyano-1-[(3-methoxyphenyl)methyl]-7-methyl-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 11442160
1-(3-methoxyphenyl)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 20801212
(4-methoxyphenyl)[1-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-beta-carbolin-2-yl]methanone
CID 2739969
(5-fluoro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4912133

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The IUPAC name of 8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 118341131) is 8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The canonical SMILES for 8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is Cc1c2n(c3c(-c4ccc(OC(F)(F)F)cc4)cc(F)cc13)CCNC2=O.
What is the InChIKey of 8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
The InChIKey is LAJUJHCHDKCXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N2O2/c1-10-14-8-12(20)9-15(17(14)25-7-6-24-18(26)16(10)25)11-2-4-13(5-3-11)27-19(21,22)23/h2-5,8-9H,6-7H2,1H3,(H,24,26).
What are the key properties of 8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?
8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 378.33 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-10-methyl-6-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 118341131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).