4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

C19H18F3N7O2 — CID 175708993

IUPAC4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2cc(N3CC4CC(C3)N4)c3c(C#N)cnn3c2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H17N7.C2HF3O2/c1-22-7-13(6-19-22)11-2-16(23-9-14-3-15(10-23)21-14)17-12(4-18)5-20-24(17)8-11;3-2(4,5)1(6)7/h2,5-8,14-15,21H,3,9-10H2,1H3;(H,6,7)
InChIKeyGBKHDULUJPSFGT-UHFFFAOYSA-N
MW433.39 g/mol
LogP1.79
Rot. Bonds2

About 4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 175708993) has the molecular formula C19H18F3N7O2 and a molecular weight of 433.39 g/mol. Its IUPAC name is 4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID175708993
Molecular FormulaC19H18F3N7O2
Molecular Weight433.39 g/mol
Exact Mass433.15
IUPAC Name4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCn1cc(-c2cc(N3CC4CC(C3)N4)c3c(C#N)cnn3c2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H17N7.C2HF3O2/c1-22-7-13(6-19-22)11-2-16(23-9-14-3-15(10-23)21-14)17-12(4-18)5-20-24(17)8-11;3-2(4,5)1(6)7/h2,5-8,14-15,21H,3,9-10H2,1H3;(H,6,7)
InChIKeyGBKHDULUJPSFGT-UHFFFAOYSA-N
XLogP1.79
TPSA111.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;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

3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid
CID 175708996
tert-butyl 4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-methylpiperazine-1-carboxylate
CID 175714263
4-[6-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 126740404
4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;bis(2,2,2-trifluoroacetic acid)
CID 134496039
6-(1-methylpyrazol-4-yl)-4-[6-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 126740110
4-[6-[(3R)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 135242331
N-[(3R)-1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]pyrrolidin-3-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 163261990
5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-1,3,4-thiadiazole-2-carboxylic acid
CID 162752793
3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-3-azabicyclo[3.2.1]octane-8-carboxamide
CID 162752804
tert-butyl piperazine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate
CID 175714476
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-cyclopropyl-N-methylpiperazine-1-carboxamide;2,2,2-trifluoroacetaldehyde
CID 157078083
N-[1-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-4-yl]-2-[6-(4-fluoropyrazol-1-yl)-3,4-dihydropyridin-3-yl]acetamide
CID 167038856

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 175708993) is 4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is Cn1cc(-c2cc(N3CC4CC(C3)N4)c3c(C#N)cnn3c2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is GBKHDULUJPSFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7.C2HF3O2/c1-22-7-13(6-19-22)11-2-16(23-9-14-3-15(10-23)21-14)17-12(4-18)5-20-24(17)8-11;3-2(4,5)1(6)7/h2,5-8,14-15,21H,3,9-10H2,1H3;(H,6,7).
What are the key properties of 4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 433.39 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175708993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).