2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide

C23H19F4N7O — CID 130423498

IUPAC2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCc1ncc(NC(=O)Cc2ccc(-c3cnc(Nc4cn(C)cn4)nc3)cc2F)cc1C(F)(F)F
InChIInChI=1S/C23H19F4N7O/c1-13-18(23(25,26)27)7-17(10-28-13)32-21(35)6-15-4-3-14(5-19(15)24)16-8-29-22(30-9-16)33-20-11-34(2)12-31-20/h3-5,7-12H,6H2,1-2H3,(H,32,35)(H,29,30,33)
InChIKeyIMQRSHBILNAFAP-UHFFFAOYSA-N
MW485.45 g/mol
LogP4.66
Rot. Bonds6

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

2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 130423498) has the molecular formula C23H19F4N7O and a molecular weight of 485.45 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID130423498
Molecular FormulaC23H19F4N7O
Molecular Weight485.45 g/mol
Exact Mass485.16
IUPAC Name2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCc1ncc(NC(=O)Cc2ccc(-c3cnc(Nc4cn(C)cn4)nc3)cc2F)cc1C(F)(F)F
InChIInChI=1S/C23H19F4N7O/c1-13-18(23(25,26)27)7-17(10-28-13)32-21(35)6-15-4-3-14(5-19(15)24)16-8-29-22(30-9-16)33-20-11-34(2)12-31-20/h3-5,7-12H,6H2,1-2H3,(H,32,35)(H,29,30,33)
InChIKeyIMQRSHBILNAFAP-UHFFFAOYSA-N
XLogP4.66
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.45
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]acetamide
CID 158346684
2-[4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 130423370
2-[4-[2-[(1-cyclopropylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423239
2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 130423623
2-[2-fluoro-4-[5-(1-fluoroethenyl)-6-methyl-3-pyridinyl]phenyl]-N-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 166877140
2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 130423464
2-[2-fluoro-4-[2-[(1-methyl-3-pyridinyl)amino]pyrimidin-5-yl]phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 176533329
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-[(1,3,5-trimethylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
CID 126507801
N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]-2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423243
N-(2-cyclopropyl-4-pyridinyl)-2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]acetamide
CID 130423402
N-[6-(2-cyanopropan-2-yl)-3-pyridinyl]-2-[2-fluoro-4-[2-[[3-(methylamino)cyclobuta-1,3-dien-1-yl]amino]pyrimidin-5-yl]phenyl]acetamide
CID 166877130

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 130423498) is 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide is Cc1ncc(NC(=O)Cc2ccc(-c3cnc(Nc4cn(C)cn4)nc3)cc2F)cc1C(F)(F)F.
What is the InChIKey of 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is IMQRSHBILNAFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F4N7O/c1-13-18(23(25,26)27)7-17(10-28-13)32-21(35)6-15-4-3-14(5-19(15)24)16-8-29-22(30-9-16)33-20-11-34(2)12-31-20/h3-5,7-12H,6H2,1-2H3,(H,32,35)(H,29,30,33).
What are the key properties of 2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 485.45 g/mol, XLogP of 4.66, 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-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 130423498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).