4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid

C19H25F3N6O3 — CID 155855025

IUPAC4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid
SMILESCC(C)n1nc(CN2CCOCC2)c2c1CN(c1ncccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N6O.C2HF3O2/c1-13(2)23-16-12-22(17-18-4-3-5-19-17)10-14(16)15(20-23)11-21-6-8-24-9-7-21;3-2(4,5)1(6)7/h3-5,13H,6-12H2,1-2H3;(H,6,7)
InChIKeyGFXWHOBPOUAGCX-UHFFFAOYSA-N
MW442.44 g/mol
LogP2.24
Rot. Bonds4

About 4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid

4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid (PubChem CID 155855025) has the molecular formula C19H25F3N6O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is 4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid
PubChem CID155855025
Molecular FormulaC19H25F3N6O3
Molecular Weight442.44 g/mol
Exact Mass442.19
IUPAC Name4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid
SMILESCC(C)n1nc(CN2CCOCC2)c2c1CN(c1ncccn1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C17H24N6O.C2HF3O2/c1-13(2)23-16-12-22(17-18-4-3-5-19-17)10-14(16)15(20-23)11-21-6-8-24-9-7-21;3-2(4,5)1(6)7/h3-5,13H,6-12H2,1-2H3;(H,6,7)
InChIKeyGFXWHOBPOUAGCX-UHFFFAOYSA-N
XLogP2.24
TPSA96.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[[6-(oxan-4-yl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 118742644
3-(Imidazol-1-ylmethyl)-1-methyl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazole;2,2,2-trifluoroacetic acid
CID 118742810
8-[(1,5-dimethylpyrazol-3-yl)methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 118743754
N-[(6-methyl-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine;tris(2,2,2-trifluoroacetic acid)
CID 118747006
4-{2-[3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl}morpholine
CID 50951052
4-[2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
CID 95120956
4-[2-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]morpholine
CID 95120957
4-[[5-(5-Fluoropyrimidin-2-yl)-1-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]methyl]morpholine
CID 97413586
3-[3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4-[(4-methylpyrimidin-2-yl)methyl]morpholine
CID 127788025
2-[4-[2-(3,5-Dimethylpyrazol-1-yl)propyl]piperazin-1-yl]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 154888065
(3R,3aR,6aR)-5-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[2-(4-methylpyrimidin-2-yl)oxyethyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155831547
7-[(1-methylpyrazol-4-yl)methyl]-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155832068

Frequently Asked Questions

What is the IUPAC name of 4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid (CID 155855025) is 4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid is CC(C)n1nc(CN2CCOCC2)c2c1CN(c1ncccn1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is GFXWHOBPOUAGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O.C2HF3O2/c1-13(2)23-16-12-22(17-18-4-3-5-19-17)10-14(16)15(20-23)11-21-6-8-24-9-7-21;3-2(4,5)1(6)7/h3-5,13H,6-12H2,1-2H3;(H,6,7).
What are the key properties of 4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid?
4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 442.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-propan-2-yl-5-pyrimidin-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methyl]morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155855025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).