[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

C69H82F13N15O5 — CID 162206983

IUPAC[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
SMILESCOc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OC(C)(C)C.Cc1cc(C(F)F)n2ncc(C(=O)N3CCC4(CC3)NCC(C)(C)n3c(C(F)(F)F)ccc34)c2n1.Cc1cc(C(F)F)n2ncc(C(=O)N3CCC4(CC3)NCCn3c(C(F)(F)F)ccc34)c2n1.[H][H].[H][H]
InChIInChI=1S/C25H32F3N3O3.C23H25F5N6O.C21H21F5N6O.2H2/c1-23(2,3)34-18-7-6-17(16-19(18)33-5)22(32)30-12-10-24(11-13-30)20-8-9-21(25(26,27)28)31(20)15-14-29(24)4;1-13-10-15(18(24)25)34-19(31-13)14(11-30-34)20(35)32-8-6-22(7-9-32)16-4-5-17(23(26,27)28)33(16)21(2,3)12-29-22;1-12-10-14(17(22)23)32-18(29-12)13(11-28-32)19(33)30-7-4-20(5-8-30)15-2-3-16(21(24,25)26)31(15)9-6-27-20;;/h6-9,16H,10-15H2,1-5H3;4-5,10-11,18,29H,6-9,12H2,1-3H3;2-3,10-11,17,27H,4-9H2,1H3;2*1H
InChIKeyZSIAPDYLVIWCEI-UHFFFAOYSA-N
MW1448.49 g/mol
LogP13.06
Rot. Bonds7

About [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen

[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (PubChem CID 162206983) has the molecular formula C69H82F13N15O5 and a molecular weight of 1448.49 g/mol. Its IUPAC name is [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.

Molecular Properties

Compound Name[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
PubChem CID162206983
Molecular FormulaC69H82F13N15O5
Molecular Weight1448.49 g/mol
Exact Mass1447.64
IUPAC Name[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
SMILESCOc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OC(C)(C)C.Cc1cc(C(F)F)n2ncc(C(=O)N3CCC4(CC3)NCC(C)(C)n3c(C(F)(F)F)ccc34)c2n1.Cc1cc(C(F)F)n2ncc(C(=O)N3CCC4(CC3)NCCn3c(C(F)(F)F)ccc34)c2n1.[H][H].[H][H]
InChIInChI=1S/C25H32F3N3O3.C23H25F5N6O.C21H21F5N6O.2H2/c1-23(2,3)34-18-7-6-17(16-19(18)33-5)22(32)30-12-10-24(11-13-30)20-8-9-21(25(26,27)28)31(20)15-14-29(24)4;1-13-10-15(18(24)25)34-19(31-13)14(11-30-34)20(35)32-8-6-22(7-9-32)16-4-5-17(23(26,27)28)33(16)21(2,3)12-29-22;1-12-10-14(17(22)23)32-18(29-12)13(11-28-32)19(33)30-7-4-20(5-8-30)15-2-3-16(21(24,25)26)31(15)9-6-27-20;;/h6-9,16H,10-15H2,1-5H3;4-5,10-11,18,29H,6-9,12H2,1-3H3;2-3,10-11,17,27H,4-9H2,1H3;2*1H
InChIKeyZSIAPDYLVIWCEI-UHFFFAOYSA-N
XLogP13.06
TPSA181.86 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001448.49
LogP ≤ 513.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Analyze [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen with MolForge

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Related Compounds

3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-fluoro-3-pyridinyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-methylphenyl)propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[3-(trifluoromethoxy)phenyl]propan-1-one;3-[4-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157073829
3-[4-[4-Amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-fluoro-3-pyridinyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-(2-methylphenyl)propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[3-(trifluoromethoxy)phenyl]propan-1-one;3-[4-[4-amino-1-(1-prop-2-enoylpiperidin-3-yl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-1-[4-(trifluoromethoxy)phenyl]propan-1-one
CID 157073834
[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-pyrimidin-5-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 157202689
2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
CID 157547039
[4-Ethyl-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone;[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(3-fluoro-4-phenylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 157556700
2-(3,4-dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
CID 157606880
7-N-[(4-acetylphenyl)methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-7-N-[(2-fluoro-2-methyl-1,3-benzodioxol-5-yl)methyl]-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-[(4-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;bis(3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide);3-fluoro-5-N-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methyl]-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;methane
CID 157701282
[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-fluoro-4-(2-hydroxypropan-2-yl)phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;(3-methoxy-4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen
CID 157728761
[8-Chloro-2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-(6-methoxy-5-propan-2-yloxy-2-pyridinyl)methanone;(5-methyl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen;2,2,2-trifluoro-1-[1'-(4-fluoro-3-methylbenzoyl)-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone;2,2,2-trifluoro-1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 158238053
3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N,N-dimethylbenzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide;4-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;3-(1-methylpyrazol-4-yl)-2-pyrrolidin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 158278593
N-(2-amino-2-methylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;N-(3-morpholin-4-ylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158294318
N-(2-amino-2-methylpropyl)-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[2-(dimethylamino)ethyl]-4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N,N-dimethyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158380688

Frequently Asked Questions

What is the IUPAC name of [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?
The IUPAC name of [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen (CID 162206983) is [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen.
What is the SMILES notation for [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?
The canonical SMILES for [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is COc1cc(C(=O)N2CCC3(CC2)c2ccc(C(F)(F)F)n2CCN3C)ccc1OC(C)(C)C.Cc1cc(C(F)F)n2ncc(C(=O)N3CCC4(CC3)NCC(C)(C)n3c(C(F)(F)F)ccc34)c2n1.Cc1cc(C(F)F)n2ncc(C(=O)N3CCC4(CC3)NCCn3c(C(F)(F)F)ccc34)c2n1.[H][H].[H][H].
What is the InChIKey of [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?
The InChIKey is ZSIAPDYLVIWCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F3N3O3.C23H25F5N6O.C21H21F5N6O.2H2/c1-23(2,3)34-18-7-6-17(16-19(18)33-5)22(32)30-12-10-24(11-13-30)20-8-9-21(25(26,27)28)31(20)15-14-29(24)4;1-13-10-15(18(24)25)34-19(31-13)14(11-30-34)20(35)32-8-6-22(7-9-32)16-4-5-17(23(26,27)28)33(16)21(2,3)12-29-22;1-12-10-14(17(22)23)32-18(29-12)13(11-28-32)19(33)30-7-4-20(5-8-30)15-2-3-16(21(24,25)26)31(15)9-6-27-20;;/h6-9,16H,10-15H2,1-5H3;4-5,10-11,18,29H,6-9,12H2,1-3H3;2-3,10-11,17,27H,4-9H2,1H3;2*1H.
What are the key properties of [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen?
[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen has a molecular weight of 1448.49 g/mol, XLogP of 13.06, 7 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[4,4-dimethyl-6-(trifluoromethyl)spiro[2,3-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidin-3-yl]-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-[2-methyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;molecular hydrogen is sourced from PubChem (CID 162206983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).