N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C20H14F3N7O — CID 122290654

IUPACN-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H14F3N7O/c21-20(22,23)16-7-2-13(11-24-16)19(31)29-15-5-3-14(4-6-15)28-17-10-18(26-12-25-17)30-9-1-8-27-30/h1-12H,(H,29,31)(H,25,26,28)
InChIKeyIXNZHPIVTBRCTL-UHFFFAOYSA-N
MW425.37 g/mol
LogP4.07
Rot. Bonds5

About N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 122290654) has the molecular formula C20H14F3N7O and a molecular weight of 425.37 g/mol. Its IUPAC name is N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID122290654
Molecular FormulaC20H14F3N7O
Molecular Weight425.37 g/mol
Exact Mass425.12
IUPAC NameN-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C20H14F3N7O/c21-20(22,23)16-7-2-13(11-24-16)19(31)29-15-5-3-14(4-6-15)28-17-10-18(26-12-25-17)30-9-1-8-27-30/h1-12H,(H,29,31)(H,25,26,28)
InChIKeyIXNZHPIVTBRCTL-UHFFFAOYSA-N
XLogP4.07
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122291399
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 122290660
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 122290573
3-(4-fluorophenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122290727
4-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-thiazole-5-carboxamide
CID 122290710
1-methyl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]triazole-4-carboxamide
CID 122290639
2-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290694
N-[4-(1,2,4-triazol-1-yl)phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 37120372
4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121073828
N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 122291297
2-(4-methoxyphenoxy)-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122290600
1-(1,3-benzodioxol-5-yl)-3-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 121073012

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 122290654) is N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IXNZHPIVTBRCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N7O/c21-20(22,23)16-7-2-13(11-24-16)19(31)29-15-5-3-14(4-6-15)28-17-10-18(26-12-25-17)30-9-1-8-27-30/h1-12H,(H,29,31)(H,25,26,28).
What are the key properties of N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 425.37 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 122290654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).