N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide

C22H16F3N5O — CID 46918086

IUPACN-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(-c2ccc(F)cn2)nc1-c1ccccc1)c1ncc(F)cc1F
InChIInChI=1S/C22H16F3N5O/c1-13(20-18(25)9-16(24)11-27-20)28-22(31)17-12-30(19-8-7-15(23)10-26-19)29-21(17)14-5-3-2-4-6-14/h2-13H,1H3,(H,28,31)/t13-/m1/s1
InChIKeyAAZTZUAJYHYBPT-CYBMUJFWSA-N
MW423.40 g/mol
LogP4.24
Rot. Bonds5

About N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide

N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide (PubChem CID 46918086) has the molecular formula C22H16F3N5O and a molecular weight of 423.40 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide
PubChem CID46918086
Molecular FormulaC22H16F3N5O
Molecular Weight423.40 g/mol
Exact Mass423.13
IUPAC NameN-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide
SMILESC[C@@H](NC(=O)c1cn(-c2ccc(F)cn2)nc1-c1ccccc1)c1ncc(F)cc1F
InChIInChI=1S/C22H16F3N5O/c1-13(20-18(25)9-16(24)11-27-20)28-22(31)17-12-30(19-8-7-15(23)10-26-19)29-21(17)14-5-3-2-4-6-14/h2-13H,1H3,(H,28,31)/t13-/m1/s1
InChIKeyAAZTZUAJYHYBPT-CYBMUJFWSA-N
XLogP4.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide (CID 46918086) is N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide is C[C@@H](NC(=O)c1cn(-c2ccc(F)cn2)nc1-c1ccccc1)c1ncc(F)cc1F.
What is the InChIKey of N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide?
The InChIKey is AAZTZUAJYHYBPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H16F3N5O/c1-13(20-18(25)9-16(24)11-27-20)28-22(31)17-12-30(19-8-7-15(23)10-26-19)29-21(17)14-5-3-2-4-6-14/h2-13H,1H3,(H,28,31)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide?
N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-1-(5-fluoro-2-pyridinyl)-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 46918086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).