(5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

C17H25F3N4O4 — CID 118744859

IUPAC(5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCCC(C)N1Cc2c(C(=O)N3CCOCC3)nn(C)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4O2.C2HF3O2/c1-4-11(2)19-9-12-13(10-19)17(3)16-14(12)15(20)18-5-7-21-8-6-18;3-2(4,5)1(6)7/h11H,4-10H2,1-3H3;(H,6,7)
InChIKeyOGEXUAQCYNAETN-UHFFFAOYSA-N
MW406.41 g/mol
LogP1.64
Rot. Bonds3

About (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid

(5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 118744859) has the molecular formula C17H25F3N4O4 and a molecular weight of 406.41 g/mol. Its IUPAC name is (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID118744859
Molecular FormulaC17H25F3N4O4
Molecular Weight406.41 g/mol
Exact Mass406.18
IUPAC Name(5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
SMILESCCC(C)N1Cc2c(C(=O)N3CCOCC3)nn(C)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4O2.C2HF3O2/c1-4-11(2)19-9-12-13(10-19)17(3)16-14(12)15(20)18-5-7-21-8-6-18;3-2(4,5)1(6)7/h11H,4-10H2,1-3H3;(H,6,7)
InChIKeyOGEXUAQCYNAETN-UHFFFAOYSA-N
XLogP1.64
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid 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

[1-Methyl-5-(oxan-4-ylmethyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone
CID 97389061
[5-(Cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 97389066
[5-(Cyclobutylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 97408305
(1-Methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 97462012
(4-Methylpiperazin-1-yl)-(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)methanone
CID 97462024
(5-Butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 118744860
(5-Butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742609
[1-Methyl-5-(3-methylbutyl)-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742627
(1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118744857
[5-(Cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746639
(1-Methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746914
4-[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 119216551

Frequently Asked Questions

What is the IUPAC name of (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 118744859) is (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is CCC(C)N1Cc2c(C(=O)N3CCOCC3)nn(C)c2C1.O=C(O)C(F)(F)F.
What is the InChIKey of (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is OGEXUAQCYNAETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.C2HF3O2/c1-4-11(2)19-9-12-13(10-19)17(3)16-14(12)15(20)18-5-7-21-8-6-18;3-2(4,5)1(6)7/h11H,4-10H2,1-3H3;(H,6,7).
What are the key properties of (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid?
(5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 406.41 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).