6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide

C22H18F3N5O4 — CID 71525568

IUPAC6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccnc2cc(-c3ccccc3C(F)(F)F)nn12)c1cccc(OCC(O)CO)n1
InChIInChI=1S/C22H18F3N5O4/c23-22(24,25)15-5-2-1-4-14(15)17-10-19-26-9-8-18(30(19)29-17)28-21(33)16-6-3-7-20(27-16)34-12-13(32)11-31/h1-10,13,31-32H,11-12H2,(H,28,33)
InChIKeyYNGFKAZRICKWHL-UHFFFAOYSA-N
MW473.41 g/mol
LogP2.79
Rot. Bonds7

About 6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide

6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide (PubChem CID 71525568) has the molecular formula C22H18F3N5O4 and a molecular weight of 473.41 g/mol. Its IUPAC name is 6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide
PubChem CID71525568
Molecular FormulaC22H18F3N5O4
Molecular Weight473.41 g/mol
Exact Mass473.13
IUPAC Name6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccnc2cc(-c3ccccc3C(F)(F)F)nn12)c1cccc(OCC(O)CO)n1
InChIInChI=1S/C22H18F3N5O4/c23-22(24,25)15-5-2-1-4-14(15)17-10-19-26-9-8-18(30(19)29-17)28-21(33)16-6-3-7-20(27-16)34-12-13(32)11-31/h1-10,13,31-32H,11-12H2,(H,28,33)
InChIKeyYNGFKAZRICKWHL-UHFFFAOYSA-N
XLogP2.79
TPSA121.87 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.41
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide?
The IUPAC name of 6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide (CID 71525568) is 6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide is O=C(Nc1ccnc2cc(-c3ccccc3C(F)(F)F)nn12)c1cccc(OCC(O)CO)n1.
What is the InChIKey of 6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide?
The InChIKey is YNGFKAZRICKWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O4/c23-22(24,25)15-5-2-1-4-14(15)17-10-19-26-9-8-18(30(19)29-17)28-21(33)16-6-3-7-20(27-16)34-12-13(32)11-31/h1-10,13,31-32H,11-12H2,(H,28,33).
What are the key properties of 6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide?
6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide has a molecular weight of 473.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroxypropoxy)-N-[2-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71525568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).