2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid

C20H18F3N5O3 — CID 137377343

IUPAC2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid
SMILESO=C(Nc1cc2cn(C3CCNCC3)nc2cc1C(=O)O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F3N5O3/c21-20(22,23)17-3-1-2-14(25-17)18(29)26-16-8-11-10-28(12-4-6-24-7-5-12)27-15(11)9-13(16)19(30)31/h1-3,8-10,12,24H,4-7H2,(H,26,29)(H,30,31)
InChIKeyMOSWJVTXDLVKPZ-UHFFFAOYSA-N
MW433.39 g/mol
LogP3.33
Rot. Bonds4

About 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid

2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid (PubChem CID 137377343) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid.

Molecular Properties

Compound Name2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid
PubChem CID137377343
Molecular FormulaC20H18F3N5O3
Molecular Weight433.39 g/mol
Exact Mass433.14
IUPAC Name2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid
SMILESO=C(Nc1cc2cn(C3CCNCC3)nc2cc1C(=O)O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C20H18F3N5O3/c21-20(22,23)17-3-1-2-14(25-17)18(29)26-16-8-11-10-28(12-4-6-24-7-5-12)27-15(11)9-13(16)19(30)31/h1-3,8-10,12,24H,4-7H2,(H,26,29)(H,30,31)
InChIKeyMOSWJVTXDLVKPZ-UHFFFAOYSA-N
XLogP3.33
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.39
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid?
The IUPAC name of 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid (CID 137377343) is 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid.
What is the SMILES notation for 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid?
The canonical SMILES for 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid is O=C(Nc1cc2cn(C3CCNCC3)nc2cc1C(=O)O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid?
The InChIKey is MOSWJVTXDLVKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c21-20(22,23)17-3-1-2-14(25-17)18(29)26-16-8-11-10-28(12-4-6-24-7-5-12)27-15(11)9-13(16)19(30)31/h1-3,8-10,12,24H,4-7H2,(H,26,29)(H,30,31).
What are the key properties of 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid?
2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid has a molecular weight of 433.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylic acid is sourced from PubChem (CID 137377343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).