N-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide

C26H18F3N5O2 — CID 69131127

IUPACN-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cnn3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccnc23)cn1
InChIInChI=1S/C26H18F3N5O2/c1-36-23-9-8-18(14-31-23)21-15-32-34-22(10-11-30-24(21)34)16-4-3-7-20(13-16)33-25(35)17-5-2-6-19(12-17)26(27,28)29/h2-15H,1H3,(H,33,35)
InChIKeyRMUORMGBCIMAAA-UHFFFAOYSA-N
MW489.46 g/mol
LogP5.74
Rot. Bonds5

About N-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 69131127) has the molecular formula C26H18F3N5O2 and a molecular weight of 489.46 g/mol. Its IUPAC name is N-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
PubChem CID69131127
Molecular FormulaC26H18F3N5O2
Molecular Weight489.46 g/mol
Exact Mass489.14
IUPAC NameN-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2cnn3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccnc23)cn1
InChIInChI=1S/C26H18F3N5O2/c1-36-23-9-8-18(14-31-23)21-15-32-34-22(10-11-30-24(21)34)16-4-3-7-20(13-16)33-25(35)17-5-2-6-19(12-17)26(27,28)29/h2-15H,1H3,(H,33,35)
InChIKeyRMUORMGBCIMAAA-UHFFFAOYSA-N
XLogP5.74
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.46
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 69131127) is N-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide is COc1ccc(-c2cnn3c(-c4cccc(NC(=O)c5cccc(C(F)(F)F)c5)c4)ccnc23)cn1.
What is the InChIKey of N-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RMUORMGBCIMAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N5O2/c1-36-23-9-8-18(14-31-23)21-15-32-34-22(10-11-30-24(21)34)16-4-3-7-20(13-16)33-25(35)17-5-2-6-19(12-17)26(27,28)29/h2-15H,1H3,(H,33,35).
What are the key properties of N-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide?
N-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 489.46 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(6-methoxy-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 69131127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).