N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid

C22H25F3N6O4 — CID 166259763

IUPACN-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1cnn2c1CN(C(=O)CNC(=O)c1cccc3[nH]ccc13)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H24N6O2.C2HF3O2/c1-24(2)12-14-10-23-26-9-8-25(13-18(14)26)19(27)11-22-20(28)16-4-3-5-17-15(16)6-7-21-17;3-2(4,5)1(6)7/h3-7,10,21H,8-9,11-13H2,1-2H3,(H,22,28);(H,6,7)
InChIKeySPJXNZOOPKNDSY-UHFFFAOYSA-N
MW494.47 g/mol
LogP1.83
Rot. Bonds5

About N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid

N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 166259763) has the molecular formula C22H25F3N6O4 and a molecular weight of 494.47 g/mol. Its IUPAC name is N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID166259763
Molecular FormulaC22H25F3N6O4
Molecular Weight494.47 g/mol
Exact Mass494.19
IUPAC NameN-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCN(C)Cc1cnn2c1CN(C(=O)CNC(=O)c1cccc3[nH]ccc13)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C20H24N6O2.C2HF3O2/c1-24(2)12-14-10-23-26-9-8-25(13-18(14)26)19(27)11-22-20(28)16-4-3-5-17-15(16)6-7-21-17;3-2(4,5)1(6)7/h3-7,10,21H,8-9,11-13H2,1-2H3,(H,22,28);(H,6,7)
InChIKeySPJXNZOOPKNDSY-UHFFFAOYSA-N
XLogP1.83
TPSA123.56 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.47
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[2-(2-methylpropylamino)-2-oxoethyl]-1H-indole-4-carboxamide
CID 115672235
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(2-amino-2-ethylbutyl)-1H-indole-4-carboxamide
CID 115305746
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617
3-[tert-butyl(1H-indole-4-carbonyl)amino]propanoic acid
CID 60826642
(2S)-2-(1H-indole-4-carbonylamino)propanoic acid
CID 93286189
N-(2-hydroxy-2,3-dimethylpentyl)-1H-indole-4-carboxamide
CID 111595853
N-(2-aminobutyl)-1H-indole-4-carboxamide
CID 63733452
1H-indole-4-carbohydrazide
CID 43316644
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide
CID 63832136
N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 166259763) is N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid is CN(C)Cc1cnn2c1CN(C(=O)CNC(=O)c1cccc3[nH]ccc13)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is SPJXNZOOPKNDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2.C2HF3O2/c1-24(2)12-14-10-23-26-9-8-25(13-18(14)26)19(27)11-22-20(28)16-4-3-5-17-15(16)6-7-21-17;3-2(4,5)1(6)7/h3-7,10,21H,8-9,11-13H2,1-2H3,(H,22,28);(H,6,7).
What are the key properties of N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 494.47 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-1H-indole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 166259763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).