[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone

C24H29ClF3N3O3 — CID 59053907

IUPAC[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC3(CC2)c2c(Cl)cc(C(F)(F)F)n2CCN3C)ccc1OC(C)C
InChIInChI=1S/C24H29ClF3N3O3/c1-15(2)34-18-6-5-16(13-19(18)33-4)22(32)30-9-7-23(8-10-30)21-17(25)14-20(24(26,27)28)31(21)12-11-29(23)3/h5-6,13-15H,7-12H2,1-4H3
InChIKeyIGMLYDBPDZNQSZ-UHFFFAOYSA-N
MW499.96 g/mol
LogP5.03
Rot. Bonds4

About [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone

[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone (PubChem CID 59053907) has the molecular formula C24H29ClF3N3O3 and a molecular weight of 499.96 g/mol. Its IUPAC name is [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Name[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
PubChem CID59053907
Molecular FormulaC24H29ClF3N3O3
Molecular Weight499.96 g/mol
Exact Mass499.18
IUPAC Name[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCC3(CC2)c2c(Cl)cc(C(F)(F)F)n2CCN3C)ccc1OC(C)C
InChIInChI=1S/C24H29ClF3N3O3/c1-15(2)34-18-6-5-16(13-19(18)33-4)22(32)30-9-7-23(8-10-30)21-17(25)14-20(24(26,27)28)31(21)12-11-29(23)3/h5-6,13-15H,7-12H2,1-4H3
InChIKeyIGMLYDBPDZNQSZ-UHFFFAOYSA-N
XLogP5.03
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.96
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-butan-2-yloxy-3-methoxyphenyl)-[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone
CID 77460314
[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-methoxy-3-(trifluoromethyl)phenyl]methanone
CID 88859102
[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 59054102
[(2'R)-2,2'-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 118188295
(3-methoxy-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone
CID 59053851
[8-fluoro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methyl-5-propan-2-yloxy-2-pyridinyl)methanone;1-[1'-(4-methoxy-3-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 159143575
(3-methoxy-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;molecular hydrogen
CID 159384303
(3-methoxy-4-propan-2-yloxyphenyl)-[4-methyl-4-[1-[2-(2,2,2-trifluoroethylamino)ethyl]-5-(trifluoromethyl)pyrrol-2-yl]piperidin-1-yl]methanone
CID 162544223
3,9-diazaspiro[5.5]undecan-3-yl-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 119047693
ethyl 2-[1'-(3-chloro-4-propan-2-yloxybenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2-oxoacetate
CID 142770216
(3-methoxy-4-propan-2-yloxyphenyl)-[4-(2,2,2-trifluoroethyl)-15-(trifluoromethyl)-1,4,8-triazabicyclo[10.3.0]pentadeca-12,14-dien-8-yl]methanone
CID 129159908
[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(1-hydroxycyclobutyl)phenyl]methanone;[3-fluoro-4-(2-hydroxy-2-methylpropyl)phenyl]-[2-methyl-6-(1,1,2,2,2-pentafluoroethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;1-[1'-[3-fluoro-4-(2-hydroxypropan-2-yl)benzoyl]-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;1'-(3-methoxy-4-propan-2-yloxybenzoyl)-N,N-dimethyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-2-carboxamide;molecular hydrogen
CID 159730745

Frequently Asked Questions

What is the IUPAC name of [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
The IUPAC name of [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone (CID 59053907) is [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone is COc1cc(C(=O)N2CCC3(CC2)c2c(Cl)cc(C(F)(F)F)n2CCN3C)ccc1OC(C)C.
What is the InChIKey of [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
The InChIKey is IGMLYDBPDZNQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClF3N3O3/c1-15(2)34-18-6-5-16(13-19(18)33-4)22(32)30-9-7-23(8-10-30)21-17(25)14-20(24(26,27)28)31(21)12-11-29(23)3/h5-6,13-15H,7-12H2,1-4H3.
What are the key properties of [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone?
[8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone has a molecular weight of 499.96 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 59053907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).