N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide

C24H13ClF3N5O — CID 59513873

IUPACN-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1cc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)ccc1F)c1c(F)cccc1F
InChIInChI=1S/C24H13ClF3N5O/c25-24-29-10-9-17(31-24)21-19-6-1-2-11-33(19)32-22(21)13-7-8-14(26)18(12-13)30-23(34)20-15(27)4-3-5-16(20)28/h1-12H,(H,30,34)
InChIKeyYHNODSBRDUQWHB-UHFFFAOYSA-N
MW479.85 g/mol
LogP5.78
Rot. Bonds4

About N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide

N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide (PubChem CID 59513873) has the molecular formula C24H13ClF3N5O and a molecular weight of 479.85 g/mol. Its IUPAC name is N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide
PubChem CID59513873
Molecular FormulaC24H13ClF3N5O
Molecular Weight479.85 g/mol
Exact Mass479.08
IUPAC NameN-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide
SMILESO=C(Nc1cc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)ccc1F)c1c(F)cccc1F
InChIInChI=1S/C24H13ClF3N5O/c25-24-29-10-9-17(31-24)21-19-6-1-2-11-33(19)32-22(21)13-7-8-14(26)18(12-13)30-23(34)20-15(27)4-3-5-16(20)28/h1-12H,(H,30,34)
InChIKeyYHNODSBRDUQWHB-UHFFFAOYSA-N
XLogP5.78
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.85
LogP ≤ 55.78
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
N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide
CID 59513717
2,3,6-trifluoro-N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529276
3-(2-chloropyrimidin-4-yl)-2-phenylpyrazolo[1,5-a]pyridine
CID 15158143
N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
CID 59513770
2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529220
3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-N-ethylaniline;ethane
CID 91559456
2,6-difluoro-N-[3-[3-[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 11519818
2-chloro-5-fluoro-N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 59513749
N-[3-[3-[2-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
CID 59513697
2-chloro-4-fluoro-N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 59513782
2,6-difluoro-N-[3-[3-[2-[3-[(2-methylsulfonylethylamino)methyl]anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 59513874

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide (CID 59513873) is N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide is O=C(Nc1cc(-c2nn3ccccc3c2-c2ccnc(Cl)n2)ccc1F)c1c(F)cccc1F.
What is the InChIKey of N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide?
The InChIKey is YHNODSBRDUQWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H13ClF3N5O/c25-24-29-10-9-17(31-24)21-19-6-1-2-11-33(19)32-22(21)13-7-8-14(26)18(12-13)30-23(34)20-15(27)4-3-5-16(20)28/h1-12H,(H,30,34).
What are the key properties of N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide?
N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide has a molecular weight of 479.85 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 59513873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).