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

C22H17F4N7O — CID 130423464

IUPAC2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCn1cnc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)cn2)c1
InChIInChI=1S/C22H17F4N7O/c1-33-11-19(30-12-33)32-21-28-9-14(10-29-21)16-3-2-13(6-17(16)23)7-20(34)31-18-8-15(4-5-27-18)22(24,25)26/h2-6,8-12H,7H2,1H3,(H,27,31,34)(H,28,29,32)
InChIKeyUPUFSJFKQZTWHE-UHFFFAOYSA-N
MW471.42 g/mol
LogP4.35
Rot. Bonds6

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

2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 130423464) has the molecular formula C22H17F4N7O and a molecular weight of 471.42 g/mol. Its IUPAC name is 2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID130423464
Molecular FormulaC22H17F4N7O
Molecular Weight471.42 g/mol
Exact Mass471.14
IUPAC Name2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCn1cnc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)cn2)c1
InChIInChI=1S/C22H17F4N7O/c1-33-11-19(30-12-33)32-21-28-9-14(10-29-21)16-3-2-13(6-17(16)23)7-20(34)31-18-8-15(4-5-27-18)22(24,25)26/h2-6,8-12H,7H2,1H3,(H,27,31,34)(H,28,29,32)
InChIKeyUPUFSJFKQZTWHE-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

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Related Compounds

2-[4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 130423370
2-[4-[2-[(1-methylimidazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 160841086
2-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 130423326
2-[2-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
CID 130423498
2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)methyl]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 161400584
1-[3-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-3-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 159866374
N-[4-fluoro-3-[[2-[(1-methylimidazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 163280429
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
2-[2-fluoro-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 130423623
2-(4-methoxyphenyl)-N-(1-methylimidazol-4-yl)acetamide
CID 45485638
2-(4-fluorophenyl)-N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034872

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide (CID 130423464) is 2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is Cn1cnc(Nc2ncc(-c3ccc(CC(=O)Nc4cc(C(F)(F)F)ccn4)cc3F)cn2)c1.
What is the InChIKey of 2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is UPUFSJFKQZTWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N7O/c1-33-11-19(30-12-33)32-21-28-9-14(10-29-21)16-3-2-13(6-17(16)23)7-20(34)31-18-8-15(4-5-27-18)22(24,25)26/h2-6,8-12H,7H2,1H3,(H,27,31,34)(H,28,29,32).
What are the key properties of 2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide?
2-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(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-[3-fluoro-4-[2-[(1-methylimidazol-4-yl)amino]pyrimidin-5-yl]phenyl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 130423464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).