N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide

C16H12F3N3O2 — CID 71790760

IUPACN-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cnn2ccccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)24-13-6-4-11(5-7-13)15(23)20-9-12-10-21-22-8-2-1-3-14(12)22/h1-8,10H,9H2,(H,20,23)
InChIKeyCNICPQAFJKKELQ-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.16
Rot. Bonds4

About N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide

N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide (PubChem CID 71790760) has the molecular formula C16H12F3N3O2 and a molecular weight of 335.29 g/mol. Its IUPAC name is N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
PubChem CID71790760
Molecular FormulaC16H12F3N3O2
Molecular Weight335.29 g/mol
Exact Mass335.09
IUPAC NameN-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide
SMILESO=C(NCc1cnn2ccccc12)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H12F3N3O2/c17-16(18,19)24-13-6-4-11(5-7-13)15(23)20-9-12-10-21-22-8-2-1-3-14(12)22/h1-8,10H,9H2,(H,20,23)
InChIKeyCNICPQAFJKKELQ-UHFFFAOYSA-N
XLogP3.16
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide (CID 71790760) is N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide is O=C(NCc1cnn2ccccc12)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is CNICPQAFJKKELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2/c17-16(18,19)24-13-6-4-11(5-7-13)15(23)20-9-12-10-21-22-8-2-1-3-14(12)22/h1-8,10H,9H2,(H,20,23).
What are the key properties of N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide?
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 335.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 71790760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).