2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

C25H22FN7O — CID 67101217

IUPAC2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESCn1cc(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3cccc(F)c3)n2)c(C#N)n1
InChIInChI=1S/C25H22FN7O/c1-33-15-20(22(13-27)32-33)21-8-7-19(23(24(28)34)17-5-3-10-29-14-17)25(31-21)30-11-9-16-4-2-6-18(26)12-16/h2-8,10,12,14-15,23H,9,11H2,1H3,(H2,28,34)(H,30,31)
InChIKeyNVUOLUPVMOMIMG-UHFFFAOYSA-N
MW455.50 g/mol
LogP3.16
Rot. Bonds8

About 2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101217) has the molecular formula C25H22FN7O and a molecular weight of 455.50 g/mol. Its IUPAC name is 2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101217
Molecular FormulaC25H22FN7O
Molecular Weight455.50 g/mol
Exact Mass455.19
IUPAC Name2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESCn1cc(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3cccc(F)c3)n2)c(C#N)n1
InChIInChI=1S/C25H22FN7O/c1-33-15-20(22(13-27)32-33)21-8-7-19(23(24(28)34)17-5-3-10-29-14-17)25(31-21)30-11-9-16-4-2-6-18(26)12-16/h2-8,10,12,14-15,23H,9,11H2,1H3,(H2,28,34)(H,30,31)
InChIKeyNVUOLUPVMOMIMG-UHFFFAOYSA-N
XLogP3.16
TPSA122.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide 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 2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101217) is 2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is Cn1cc(-c2ccc(C(C(N)=O)c3cccnc3)c(NCCc3cccc(F)c3)n2)c(C#N)n1.
What is the InChIKey of 2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is NVUOLUPVMOMIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN7O/c1-33-15-20(22(13-27)32-33)21-8-7-19(23(24(28)34)17-5-3-10-29-14-17)25(31-21)30-11-9-16-4-2-6-18(26)12-16/h2-8,10,12,14-15,23H,9,11H2,1H3,(H2,28,34)(H,30,31).
What are the key properties of 2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 455.50 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-cyano-1-methylpyrazol-4-yl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).