7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one

C25H31F2N3O — CID 21295649

IUPAC7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one
SMILESCN1C(=O)C2CN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CCN2C1(C)C
InChIInChI=1S/C25H31F2N3O/c1-25(2)28(3)24(31)23-17-29(15-16-30(23)25)14-4-5-22(18-6-10-20(26)11-7-18)19-8-12-21(27)13-9-19/h6-13,22-23H,4-5,14-17H2,1-3H3
InChIKeyAMLRCPCDHFWKBZ-UHFFFAOYSA-N
MW427.54 g/mol
LogP4.07
Rot. Bonds6

About 7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one

7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one (PubChem CID 21295649) has the molecular formula C25H31F2N3O and a molecular weight of 427.54 g/mol. Its IUPAC name is 7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one.

Molecular Properties

Compound Name7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one
PubChem CID21295649
Molecular FormulaC25H31F2N3O
Molecular Weight427.54 g/mol
Exact Mass427.24
IUPAC Name7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one
SMILESCN1C(=O)C2CN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CCN2C1(C)C
InChIInChI=1S/C25H31F2N3O/c1-25(2)28(3)24(31)23-17-29(15-16-30(23)25)14-4-5-22(18-6-10-20(26)11-7-18)19-8-12-21(27)13-9-19/h6-13,22-23H,4-5,14-17H2,1-3H3
InChIKeyAMLRCPCDHFWKBZ-UHFFFAOYSA-N
XLogP4.07
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.54
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(8aS)-2-[4,4-bis(4-fluorophenyl)butyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 1356088
4-[4,4-bis(4-fluorophenyl)butyl]-N-methylpiperazine-1-carboxamide
CID 57059266
5-[4,4-bis(4-fluorophenyl)butyl]-1,2,5-triazepane;dihydrochloride
CID 21277222
1-[4,4-bis(4-fluorophenyl)butyl]-3-methylimidazolidin-2-one
CID 24737860
4-[4,4-bis(4-fluorophenyl)butyl]piperazine-2-carboxamide
CID 14230271
1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(2,6-dimethylphenyl)propan-2-one
CID 134832953
4-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]benzoic acid
CID 22180536
(3R,4S)-1-[4-(4-fluorophenyl)-4-hydroxybutyl]-3-(1-hydroxyethyl)-4-methylpiperidin-4-ol
CID 67740010
2-[4,4-bis(4-fluorophenyl)butyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;bis((Z)-but-2-enedioic acid)
CID 5344757
8-[4,4-bis(4-fluorophenyl)butyl]-3-cyclohexyl-4-hydroxy-4-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 3077318
2-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]ethyl acetate;bis((E)-but-2-enedioic acid)
CID 6446930
4-[5,5-bis(4-fluorophenyl)pentyl]piperazine-2-carboxamide;hydrate
CID 19828441

Frequently Asked Questions

What is the IUPAC name of 7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one?
The IUPAC name of 7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one (CID 21295649) is 7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one.
What is the SMILES notation for 7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one?
The canonical SMILES for 7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one is CN1C(=O)C2CN(CCCC(c3ccc(F)cc3)c3ccc(F)cc3)CCN2C1(C)C.
What is the InChIKey of 7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one?
The InChIKey is AMLRCPCDHFWKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N3O/c1-25(2)28(3)24(31)23-17-29(15-16-30(23)25)14-4-5-22(18-6-10-20(26)11-7-18)19-8-12-21(27)13-9-19/h6-13,22-23H,4-5,14-17H2,1-3H3.
What are the key properties of 7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one?
7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one has a molecular weight of 427.54 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4,4-bis(4-fluorophenyl)butyl]-2,3,3-trimethyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazin-1-one is sourced from PubChem (CID 21295649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).