N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide

C19H11ClF3N5O — CID 59513717

IUPACN-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1)C(F)(F)F
InChIInChI=1S/C19H11ClF3N5O/c20-18-24-8-7-13(26-18)15-14-6-1-2-9-28(14)27-16(15)11-4-3-5-12(10-11)25-17(29)19(21,22)23/h1-10H,(H,25,29)
InChIKeyKCOPUHFXXXTSSJ-UHFFFAOYSA-N
MW417.78 g/mol
LogP4.61
Rot. Bonds3

About N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide

N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide (PubChem CID 59513717) has the molecular formula C19H11ClF3N5O and a molecular weight of 417.78 g/mol. Its IUPAC name is N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide
PubChem CID59513717
Molecular FormulaC19H11ClF3N5O
Molecular Weight417.78 g/mol
Exact Mass417.06
IUPAC NameN-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1)C(F)(F)F
InChIInChI=1S/C19H11ClF3N5O/c20-18-24-8-7-13(26-18)15-14-6-1-2-9-28(14)27-16(15)11-4-3-5-12(10-11)25-17(29)19(21,22)23/h1-10H,(H,25,29)
InChIKeyKCOPUHFXXXTSSJ-UHFFFAOYSA-N
XLogP4.61
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.78
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide
CID 59511382
3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane
CID 91559456
3-(2-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine
CID 15158143
N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide
CID 59513873
2-chloro-5-fluoro-N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 59513749
2-chloro-4-fluoro-N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 59513782
2,3,6-trifluoro-N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529276
N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
CID 59513770
N-[3-[3-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,5-difluorobenzamide
CID 59513860
N-[3-[3-[2-[3-[(2-aminoacetyl)amino]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide;hydrochloride
CID 44529103
CID 169427147
CID 169427147
N-[3-[3-[2-[3-(aminomethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2-thiophen-3-ylacetamide
CID 68680812

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide (CID 59513717) is N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1cccc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)c1)C(F)(F)F.
What is the InChIKey of N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is KCOPUHFXXXTSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3N5O/c20-18-24-8-7-13(26-18)15-14-6-1-2-9-28(14)27-16(15)11-4-3-5-12(10-11)25-17(29)19(21,22)23/h1-10H,(H,25,29).
What are the key properties of N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide?
N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 417.78 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59513717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).