6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid

C20H12F4N6O3 — CID 69162161

IUPAC6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(Nc1ccc(-c2cc(C(=O)O)c3cn[nH]c3n2)cn1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C20H12F4N6O3/c21-13-3-2-10(20(22,23)24)5-15(13)28-19(33)29-16-4-1-9(7-25-16)14-6-11(18(31)32)12-8-26-30-17(12)27-14/h1-8H,(H,31,32)(H,26,27,30)(H2,25,28,29,33)
InChIKeyWZSMEIPIXAYCFI-UHFFFAOYSA-N
MW460.35 g/mol
LogP4.52
Rot. Bonds4

About 6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid

6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (PubChem CID 69162161) has the molecular formula C20H12F4N6O3 and a molecular weight of 460.35 g/mol. Its IUPAC name is 6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
PubChem CID69162161
Molecular FormulaC20H12F4N6O3
Molecular Weight460.35 g/mol
Exact Mass460.09
IUPAC Name6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid
SMILESO=C(Nc1ccc(-c2cc(C(=O)O)c3cn[nH]c3n2)cn1)Nc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C20H12F4N6O3/c21-13-3-2-10(20(22,23)24)5-15(13)28-19(33)29-16-4-1-9(7-25-16)14-6-11(18(31)32)12-8-26-30-17(12)27-14/h1-8H,(H,31,32)(H,26,27,30)(H2,25,28,29,33)
InChIKeyWZSMEIPIXAYCFI-UHFFFAOYSA-N
XLogP4.52
TPSA132.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.35
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid (CID 69162161) is 6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is O=C(Nc1ccc(-c2cc(C(=O)O)c3cn[nH]c3n2)cn1)Nc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
The InChIKey is WZSMEIPIXAYCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N6O3/c21-13-3-2-10(20(22,23)24)5-15(13)28-19(33)29-16-4-1-9(7-25-16)14-6-11(18(31)32)12-8-26-30-17(12)27-14/h1-8H,(H,31,32)(H,26,27,30)(H2,25,28,29,33).
What are the key properties of 6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid?
6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid has a molecular weight of 460.35 g/mol, XLogP of 4.52, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 69162161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).