N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide

C22H17ClF3N7O — CID 130423243

IUPACN-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
SMILESCn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cnc(Cl)c(C(F)(F)F)c4)cc3)cn2)cn1
InChIInChI=1S/C22H17ClF3N7O/c1-33-12-17(11-30-33)32-21-28-8-15(9-29-21)14-4-2-13(3-5-14)6-19(34)31-16-7-18(22(24,25)26)20(23)27-10-16/h2-5,7-12H,6H2,1H3,(H,31,34)(H,28,29,32)
InChIKeySNXZADSYIKFHAJ-UHFFFAOYSA-N
MW487.87 g/mol
LogP4.87
Rot. Bonds6

About N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide

N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide (PubChem CID 130423243) has the molecular formula C22H17ClF3N7O and a molecular weight of 487.87 g/mol. Its IUPAC name is N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
PubChem CID130423243
Molecular FormulaC22H17ClF3N7O
Molecular Weight487.87 g/mol
Exact Mass487.11
IUPAC NameN-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
SMILESCn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cnc(Cl)c(C(F)(F)F)c4)cc3)cn2)cn1
InChIInChI=1S/C22H17ClF3N7O/c1-33-12-17(11-30-33)32-21-28-8-15(9-29-21)14-4-2-13(3-5-14)6-19(34)31-16-7-18(22(24,25)26)20(23)27-10-16/h2-5,7-12H,6H2,1H3,(H,31,34)(H,28,29,32)
InChIKeySNXZADSYIKFHAJ-UHFFFAOYSA-N
XLogP4.87
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.87
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-5-methyl-3-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 166877311
N-[4-cyano-3-(trifluoromethyl)phenyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423399
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]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423239
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-ethylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 149302260
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423376
N-(2-methoxy-4-pyridinyl)-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423288
2-[4-[2-[(1-ethylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423336
2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 130423623
2-[4-[2-[(1-cyclopropylpyrrol-3-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(1,1-difluoroethyl)-6-methoxy-3-pyridinyl]acetamide
CID 145371358
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158346684
N-(2-cyclopropyl-4-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423402

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
The IUPAC name of N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide (CID 130423243) is N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide is Cn1cc(Nc2ncc(-c3ccc(CC(=O)Nc4cnc(Cl)c(C(F)(F)F)c4)cc3)cn2)cn1.
What is the InChIKey of N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
The InChIKey is SNXZADSYIKFHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF3N7O/c1-33-12-17(11-30-33)32-21-28-8-15(9-29-21)14-4-2-13(3-5-14)6-19(34)31-16-7-18(22(24,25)26)20(23)27-10-16/h2-5,7-12H,6H2,1H3,(H,31,34)(H,28,29,32).
What are the key properties of N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide?
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide has a molecular weight of 487.87 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide is sourced from PubChem (CID 130423243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).