N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide

C22H15F4N5O2 — CID 10115278

IUPACN-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12
InChIInChI=1S/C22H15F4N5O2/c1-12-16-9-13(11-27-19(16)31(30-12)15-5-3-2-4-6-15)20(32)29-21(33)28-14-7-8-18(23)17(10-14)22(24,25)26/h2-11H,1H3,(H2,28,29,32,33)
InChIKeyZCAKXARKDWASCE-UHFFFAOYSA-N
MW457.39 g/mol
LogP4.85
Rot. Bonds3

About N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide

N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 10115278) has the molecular formula C22H15F4N5O2 and a molecular weight of 457.39 g/mol. Its IUPAC name is N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID10115278
Molecular FormulaC22H15F4N5O2
Molecular Weight457.39 g/mol
Exact Mass457.12
IUPAC NameN-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCc1nn(-c2ccccc2)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12
InChIInChI=1S/C22H15F4N5O2/c1-12-16-9-13(11-27-19(16)31(30-12)15-5-3-2-4-6-15)20(32)29-21(33)28-14-7-8-18(23)17(10-14)22(24,25)26/h2-11H,1H3,(H2,28,29,32,33)
InChIKeyZCAKXARKDWASCE-UHFFFAOYSA-N
XLogP4.85
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.39
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 10115278) is N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide is Cc1nn(-c2ccccc2)c2ncc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc12.
What is the InChIKey of N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is ZCAKXARKDWASCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N5O2/c1-12-16-9-13(11-27-19(16)31(30-12)15-5-3-2-4-6-15)20(32)29-21(33)28-14-7-8-18(23)17(10-14)22(24,25)26/h2-11H,1H3,(H2,28,29,32,33).
What are the key properties of N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide?
N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 457.39 g/mol, XLogP of 4.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-3-methyl-1-phenylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 10115278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).