(3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen

C47H61F4N7O5 — CID 157050940

IUPAC(3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen
SMILESCC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(OC(C)C)c(C)n2)CC1.CC1Cn2c(C(F)(F)F)ccc2C2(CCN(C(=O)c3ccc(OC(C)C)c(F)c3)CC2)N1.[H][H]
InChIInChI=1S/C24H32N4O3.C23H27F4N3O2.H2/c1-16(2)31-21-8-6-19(25-17(21)3)23(30)27-12-10-24(11-13-27)22-9-7-20(18(4)29)28(22)15-14-26(24)5;1-14(2)32-18-5-4-16(12-17(18)24)21(31)29-10-8-22(9-11-29)19-6-7-20(23(25,26)27)30(19)13-15(3)28-22;/h6-9,16H,10-15H2,1-5H3;4-7,12,14-15,28H,8-11,13H2,1-3H3;1H
InChIKeyAAEVJGAAVCDKBH-UHFFFAOYSA-N
MW880.04 g/mol
LogP8.06
Rot. Bonds7

About (3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen

(3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen (PubChem CID 157050940) has the molecular formula C47H61F4N7O5 and a molecular weight of 880.04 g/mol. Its IUPAC name is (3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen.

Molecular Properties

Compound Name(3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen
PubChem CID157050940
Molecular FormulaC47H61F4N7O5
Molecular Weight880.04 g/mol
Exact Mass879.47
IUPAC Name(3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen
SMILESCC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(OC(C)C)c(C)n2)CC1.CC1Cn2c(C(F)(F)F)ccc2C2(CCN(C(=O)c3ccc(OC(C)C)c(F)c3)CC2)N1.[H][H]
InChIInChI=1S/C24H32N4O3.C23H27F4N3O2.H2/c1-16(2)31-21-8-6-19(25-17(21)3)23(30)27-12-10-24(11-13-27)22-9-7-20(18(4)29)28(22)15-14-26(24)5;1-14(2)32-18-5-4-16(12-17(18)24)21(31)29-10-8-22(9-11-29)19-6-7-20(23(25,26)27)30(19)13-15(3)28-22;/h6-9,16H,10-15H2,1-5H3;4-7,12,14-15,28H,8-11,13H2,1-3H3;1H
InChIKeyAAEVJGAAVCDKBH-UHFFFAOYSA-N
XLogP8.06
TPSA114.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.04
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Cyclohexyl-2-[(4-ethoxyphenyl)methyl]-6-(furan-2-YL)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazine-3-carboxamide
CID 46274232
N-Cyclohexyl-2-[2-(4-ethoxyphenyl)ethyl]-6-(furan-2-YL)-3-methyl-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazine-3-carboxamide
CID 46274234
N-Cyclohexyl-6-(furan-2-YL)-3-methyl-1-oxo-2-{[4-(propan-2-yloxy)phenyl]methyl}-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazine-3-carboxamide
CID 46274237
2,2,2-Trifluoro-1-[1'-(5-methoxy-6-methylpyridine-2-carbonyl)-2,4-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 59053965
[3,3-Dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(2-fluoro-4-propan-2-yloxyphenyl)methanone
CID 59053967
[3,3-Dimethyl-6-(trifluoromethyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-fluoro-4-propan-2-yloxyphenyl)methanone
CID 59054175
2,2,2-Trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 59054238
2,2,2-trifluoro-1-[1'-(3-fluoro-4-propan-2-yloxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 68174428
(3-fluoro-4-propan-2-yloxyphenyl)-[(3R)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone
CID 68174444
(3-fluoro-4-propan-2-yloxyphenyl)-[(3S)-3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone
CID 68174488
1-[3,3-Dimethyl-1'-(3-methyl-4-propan-2-yloxybenzoyl)spiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone
CID 68174508
2,2,2-trifluoro-1-[4-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 68174566

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?
The IUPAC name of (3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen (CID 157050940) is (3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen.
What is the SMILES notation for (3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?
The canonical SMILES for (3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen is CC(=O)c1ccc2n1CCN(C)C21CCN(C(=O)c2ccc(OC(C)C)c(C)n2)CC1.CC1Cn2c(C(F)(F)F)ccc2C2(CCN(C(=O)c3ccc(OC(C)C)c(F)c3)CC2)N1.[H][H].
What is the InChIKey of (3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?
The InChIKey is AAEVJGAAVCDKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3.C23H27F4N3O2.H2/c1-16(2)31-21-8-6-19(25-17(21)3)23(30)27-12-10-24(11-13-27)22-9-7-20(18(4)29)28(22)15-14-26(24)5;1-14(2)32-18-5-4-16(12-17(18)24)21(31)29-10-8-22(9-11-29)19-6-7-20(23(25,26)27)30(19)13-15(3)28-22;/h6-9,16H,10-15H2,1-5H3;4-7,12,14-15,28H,8-11,13H2,1-3H3;1H.
What are the key properties of (3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen?
(3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen has a molecular weight of 880.04 g/mol, XLogP of 8.06, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-propan-2-yloxyphenyl)-[3-methyl-6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[2-methyl-1'-(6-methyl-5-propan-2-yloxypyridine-2-carbonyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;molecular hydrogen is sourced from PubChem (CID 157050940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).