2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid

C16H25F3N4O3 — CID 134519681

IUPAC2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid
SMILESCCC(N)C(=O)N1CCc2c(c(C(C)C)nn2C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H24N4O.C2HF3O2/c1-5-11(15)14(19)18-7-6-12-10(8-18)13(9(2)3)16-17(12)4;3-2(4,5)1(6)7/h9,11H,5-8,15H2,1-4H3;(H,6,7)
InChIKeyJWJFPGYHNKDXIO-UHFFFAOYSA-N
MW378.40 g/mol
LogP1.80
Rot. Bonds3

About 2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid

2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 134519681) has the molecular formula C16H25F3N4O3 and a molecular weight of 378.40 g/mol. Its IUPAC name is 2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid
PubChem CID134519681
Molecular FormulaC16H25F3N4O3
Molecular Weight378.40 g/mol
Exact Mass378.19
IUPAC Name2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid
SMILESCCC(N)C(=O)N1CCc2c(c(C(C)C)nn2C)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H24N4O.C2HF3O2/c1-5-11(15)14(19)18-7-6-12-10(8-18)13(9(2)3)16-17(12)4;3-2(4,5)1(6)7/h9,11H,5-8,15H2,1-4H3;(H,6,7)
InChIKeyJWJFPGYHNKDXIO-UHFFFAOYSA-N
XLogP1.80
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[(1-Isopropylpiperidin-4-YL)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-YL]acetamide
CID 16673271
N-[(1-Isopropylpiperidin-3-YL)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-YL]acetamide
CID 16673279
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
2-cyclopropyl-1-[3-[(dimethylamino)methyl]-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone;2,2,2-trifluoroacetic acid
CID 118742511
2-cyano-N-[[6-(cyclopropylmethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-3-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 118742749
1-[4-[[1-[(2R)-2-aminopropyl]-3,5-dimethylpyrazol-4-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one;2,2,2-trifluoroacetic acid
CID 69774056
[(2R)-2-amino-1-[4-[[1-(2,2-dimethylpropanoyl)piperidin-4-yl]methyl]-3,5-dimethylpyrazol-1-yl]propyl] 2,2,2-trifluoroacetate
CID 69774057
2-Methyl-4-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-3,4-dihydropyrazole-5-carboxamide
CID 70252612
2,3-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine trifluoroacetic acid salt
CID 86700289
1,3-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine trifluoroacetic acid salt
CID 86700290
1-[(4-methylcyclohexyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 118561519
1-Methyl-3-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;2,2,2-trifluoroacetic acid
CID 134519448

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid (CID 134519681) is 2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid is CCC(N)C(=O)N1CCc2c(c(C(C)C)nn2C)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is JWJFPGYHNKDXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.C2HF3O2/c1-5-11(15)14(19)18-7-6-12-10(8-18)13(9(2)3)16-17(12)4;3-2(4,5)1(6)7/h9,11H,5-8,15H2,1-4H3;(H,6,7).
What are the key properties of 2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid?
2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 378.40 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 134519681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).