2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid

C17H25F3N4O3 — CID 118742494

IUPAC2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1nn(C)c2c1CCN(C(=O)CC1CC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4O.C2HF3O2/c1-17(2)9-13-12-6-7-19(10-14(12)18(3)16-13)15(20)8-11-4-5-11;3-2(4,5)1(6)7/h11H,4-10H2,1-3H3;(H,6,7)
InChIKeyQRPHFXLXQOUURA-UHFFFAOYSA-N
MW390.41 g/mol
LogP1.80
Rot. Bonds4

About 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid

2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 118742494) has the molecular formula C17H25F3N4O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID118742494
Molecular FormulaC17H25F3N4O3
Molecular Weight390.41 g/mol
Exact Mass390.19
IUPAC Name2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1nn(C)c2c1CCN(C(=O)CC1CC1)C2.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4O.C2HF3O2/c1-17(2)9-13-12-6-7-19(10-14(12)18(3)16-13)15(20)8-11-4-5-11;3-2(4,5)1(6)7/h11H,4-10H2,1-3H3;(H,6,7)
InChIKeyQRPHFXLXQOUURA-UHFFFAOYSA-N
XLogP1.80
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid (CID 118742494) is 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid is CN(C)Cc1nn(C)c2c1CCN(C(=O)CC1CC1)C2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is QRPHFXLXQOUURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.C2HF3O2/c1-17(2)9-13-12-6-7-19(10-14(12)18(3)16-13)15(20)8-11-4-5-11;3-2(4,5)1(6)7/h11H,4-10H2,1-3H3;(H,6,7).
What are the key properties of 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid?
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 390.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118742494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).