4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide

C25H22F3N5O2 — CID 118046103

IUPAC4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
SMILESCn1cc(-c2cnc(N)c(-c3ccc(C(=O)NC(CO)c4cc(F)cc(CF)c4)c(F)c3)c2)cn1
InChIInChI=1S/C25H22F3N5O2/c1-33-12-18(11-31-33)17-7-21(24(29)30-10-17)15-2-3-20(22(28)8-15)25(35)32-23(13-34)16-4-14(9-26)5-19(27)6-16/h2-8,10-12,23,34H,9,13H2,1H3,(H2,29,30)(H,32,35)
InChIKeyUNNKJNLMCQNJOY-UHFFFAOYSA-N
MW481.48 g/mol
LogP3.94
Rot. Bonds7

About 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide

4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide (PubChem CID 118046103) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
PubChem CID118046103
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC Name4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
SMILESCn1cc(-c2cnc(N)c(-c3ccc(C(=O)NC(CO)c4cc(F)cc(CF)c4)c(F)c3)c2)cn1
InChIInChI=1S/C25H22F3N5O2/c1-33-12-18(11-31-33)17-7-21(24(29)30-10-17)15-2-3-20(22(28)8-15)25(35)32-23(13-34)16-4-14(9-26)5-19(27)6-16/h2-8,10-12,23,34H,9,13H2,1H3,(H2,29,30)(H,32,35)
InChIKeyUNNKJNLMCQNJOY-UHFFFAOYSA-N
XLogP3.94
TPSA106.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide 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 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide?
The IUPAC name of 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide (CID 118046103) is 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide is Cn1cc(-c2cnc(N)c(-c3ccc(C(=O)NC(CO)c4cc(F)cc(CF)c4)c(F)c3)c2)cn1.
What is the InChIKey of 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide?
The InChIKey is UNNKJNLMCQNJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-33-12-18(11-31-33)17-7-21(24(29)30-10-17)15-2-3-20(22(28)8-15)25(35)32-23(13-34)16-4-14(9-26)5-19(27)6-16/h2-8,10-12,23,34H,9,13H2,1H3,(H2,29,30)(H,32,35).
What are the key properties of 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide?
4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide has a molecular weight of 481.48 g/mol, XLogP of 3.94, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide is sourced from PubChem (CID 118046103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).