2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide

C22H17F4N7O — CID 130423623

IUPAC2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4ccc(C(F)(F)F)cn4)c(F)c3)cn2)cn1
InChIInChI=1S/C22H17F4N7O/c1-33-12-17(11-30-33)31-21-28-8-15(9-29-21)13-2-3-14(18(23)6-13)7-20(34)32-19-5-4-16(10-27-19)22(24,25)26/h2-6,8-12H,7H2,1H3,(H,27,32,34)(H,28,29,31)
InChIKeySDKKDLWYRPIBKG-UHFFFAOYSA-N
MW471.42 g/mol
LogP4.35
Rot. Bonds6

About 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide

2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 130423623) has the molecular formula C22H17F4N7O and a molecular weight of 471.42 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID130423623
Molecular FormulaC22H17F4N7O
Molecular Weight471.42 g/mol
Exact Mass471.14
IUPAC Name2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4ccc(C(F)(F)F)cn4)c(F)c3)cn2)cn1
InChIInChI=1S/C22H17F4N7O/c1-33-12-17(11-30-33)31-21-28-8-15(9-29-21)13-2-3-14(18(23)6-13)7-20(34)32-19-5-4-16(10-27-19)22(24,25)26/h2-6,8-12H,7H2,1H3,(H,27,32,34)(H,28,29,31)
InChIKeySDKKDLWYRPIBKG-UHFFFAOYSA-N
XLogP4.35
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.42
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-cyclopropyl-4-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423402
2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 130423326
2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]-2-fluorophenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423445
2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 161400584
2-[2-fluoro-4-[2-[[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126505231
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423243
2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423498
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423399
2-[2-fluoro-4-[2-[(3-methyltriazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126504900
2-[2-fluoro-4-[2-[[3-(1-hydroxyethyl)-1-methylpyrazol-4-yl]amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126504872
2-chloro-N-[4-fluoro-3-[[2-[(1-methylpyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]acetamide
CID 163280911
2-[2-fluoro-4-[2-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126507801

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide (CID 130423623) is 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide is Cn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4ccc(C(F)(F)F)cn4)c(F)c3)cn2)cn1.
What is the InChIKey of 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is SDKKDLWYRPIBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N7O/c1-33-12-17(11-30-33)31-21-28-8-15(9-29-21)13-2-3-14(18(23)6-13)7-20(34)32-19-5-4-16(10-27-19)22(24,25)26/h2-6,8-12H,7H2,1H3,(H,27,32,34)(H,28,29,31).
What are the key properties of 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 471.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 130423623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).