4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid

C16H18F3N5O2 — CID 156579251

IUPAC4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid
SMILESC[C@H]1C[C@@H](N)CN(c2ccc(C#N)n3nccc23)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H17N5.C2HF3O2/c1-10-6-11(16)9-18(8-10)13-3-2-12(7-15)19-14(13)4-5-17-19;3-2(4,5)1(6)7/h2-5,10-11H,6,8-9,16H2,1H3;(H,6,7)/t10-,11+;/m0./s1
InChIKeyGWRRYNJPCSHXEQ-VZXYPILPSA-N
MW369.35 g/mol
LogP2.01
Rot. Bonds1

About 4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid

4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 156579251) has the molecular formula C16H18F3N5O2 and a molecular weight of 369.35 g/mol. Its IUPAC name is 4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID156579251
Molecular FormulaC16H18F3N5O2
Molecular Weight369.35 g/mol
Exact Mass369.14
IUPAC Name4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid
SMILESC[C@H]1C[C@@H](N)CN(c2ccc(C#N)n3nccc23)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H17N5.C2HF3O2/c1-10-6-11(16)9-18(8-10)13-3-2-12(7-15)19-14(13)4-5-17-19;3-2(4,5)1(6)7/h2-5,10-11H,6,8-9,16H2,1H3;(H,6,7)/t10-,11+;/m0./s1
InChIKeyGWRRYNJPCSHXEQ-VZXYPILPSA-N
XLogP2.01
TPSA107.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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(3aR,7aS)-1-methyl-2-(pyrazol-1-ylmethyl)-5-(pyridin-2-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine;tetrakis(2,2,2-trifluoroacetic acid)
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4-[(2S,6R)-2-[(4-amino-3,3-difluoropiperidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146443976
4-[(2S,6R)-2-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]-6-methylmorpholin-4-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 146443988
4-[(4R,9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
CID 155192420
3-Fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 155205726
4-[(9aS)-4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
CID 155708045
4-[(4R,10aS)-4-methyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]diazepin-2-yl]-3-fluoropyrazolo[1,5-a]pyridine-7-carbonitrile
CID 156317213
3-fluoro-4-(4-methyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-d][1,4]diazepin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile
CID 156332781

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid (CID 156579251) is 4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid is C[C@H]1C[C@@H](N)CN(c2ccc(C#N)n3nccc23)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is GWRRYNJPCSHXEQ-VZXYPILPSA-N. The full InChI is InChI=1S/C14H17N5.C2HF3O2/c1-10-6-11(16)9-18(8-10)13-3-2-12(7-15)19-14(13)4-5-17-19;3-2(4,5)1(6)7/h2-5,10-11H,6,8-9,16H2,1H3;(H,6,7)/t10-,11+;/m0./s1.
What are the key properties of 4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid?
4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 369.35 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]pyrazolo[1,5-a]pyridine-7-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 156579251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).