2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid

C21H20F3N5O3 — CID 155167045

IUPAC2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCN1CCC(c2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(=O)O)cn3n2)CC1
InChIInChI=1S/C21H20F3N5O3/c1-28-7-5-12(6-8-28)16-9-13-10-17(14(20(31)32)11-29(13)27-16)26-19(30)15-3-2-4-18(25-15)21(22,23)24/h2-4,9-12H,5-8H2,1H3,(H,26,30)(H,31,32)
InChIKeyYLPPGJNNKUGVMK-UHFFFAOYSA-N
MW447.42 g/mol
LogP3.51
Rot. Bonds4

About 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid

2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 155167045) has the molecular formula C21H20F3N5O3 and a molecular weight of 447.42 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
PubChem CID155167045
Molecular FormulaC21H20F3N5O3
Molecular Weight447.42 g/mol
Exact Mass447.15
IUPAC Name2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid
SMILESCN1CCC(c2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(=O)O)cn3n2)CC1
InChIInChI=1S/C21H20F3N5O3/c1-28-7-5-12(6-8-28)16-9-13-10-17(14(20(31)32)11-29(13)27-16)26-19(30)15-3-2-4-18(25-15)21(22,23)24/h2-4,9-12H,5-8H2,1H3,(H,26,30)(H,31,32)
InChIKeyYLPPGJNNKUGVMK-UHFFFAOYSA-N
XLogP3.51
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid (CID 155167045) is 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid is CN1CCC(c2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(C(=O)O)cn3n2)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is YLPPGJNNKUGVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O3/c1-28-7-5-12(6-8-28)16-9-13-10-17(14(20(31)32)11-29(13)27-16)26-19(30)15-3-2-4-18(25-15)21(22,23)24/h2-4,9-12H,5-8H2,1H3,(H,26,30)(H,31,32).
What are the key properties of 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid?
2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 447.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]pyrazolo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 155167045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).