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

C18H24F6N4O6 — CID 118746914

IUPAC(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N1Cc2c(C(=O)N3CCOCC3)nn(C)c2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O2.2C2HF3O2/c1-10(2)18-8-11-12(9-18)16(3)15-13(11)14(19)17-4-6-20-7-5-17;2*3-2(4,5)1(6)7/h10H,4-9H2,1-3H3;2*(H,6,7)
InChIKeyIEQVAYBVYUYTID-UHFFFAOYSA-N
MW506.40 g/mol
LogP1.88
Rot. Bonds2

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

(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) (PubChem CID 118746914) has the molecular formula C18H24F6N4O6 and a molecular weight of 506.40 g/mol. Its IUPAC name is (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
PubChem CID118746914
Molecular FormulaC18H24F6N4O6
Molecular Weight506.40 g/mol
Exact Mass506.16
IUPAC Name(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
SMILESCC(C)N1Cc2c(C(=O)N3CCOCC3)nn(C)c2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C14H22N4O2.2C2HF3O2/c1-10(2)18-8-11-12(9-18)16(3)15-13(11)14(19)17-4-6-20-7-5-17;2*3-2(4,5)1(6)7/h10H,4-9H2,1-3H3;2*(H,6,7)
InChIKeyIEQVAYBVYUYTID-UHFFFAOYSA-N
XLogP1.88
TPSA125.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

[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-Butan-2-yl-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;2,2,2-trifluoroacetic acid
CID 118744859
[5-(Cyclopropylmethyl)-1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746639
4-[2-[1-(Difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 119216551
4-[2-[3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]morpholine-3-carboxylic acid
CID 120521871

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of (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) is (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) is CC(C)N1Cc2c(C(=O)N3CCOCC3)nn(C)c2C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is IEQVAYBVYUYTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2.2C2HF3O2/c1-10(2)18-8-11-12(9-18)16(3)15-13(11)14(19)17-4-6-20-7-5-17;2*3-2(4,5)1(6)7/h10H,4-9H2,1-3H3;2*(H,6,7).
What are the key properties of (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)?
(1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 506.40 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-propan-2-yl-4,6-dihydropyrrolo[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 118746914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).