N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide

C25H16ClF2N5O2 — CID 59513770

IUPACN-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
SMILESCOc1cccc2c(-c3ccnc(Cl)n3)c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nn12
InChIInChI=1S/C25H16ClF2N5O2/c1-35-20-10-4-9-19-22(18-11-12-29-25(26)31-18)23(32-33(19)20)14-5-2-6-15(13-14)30-24(34)21-16(27)7-3-8-17(21)28/h2-13H,1H3,(H,30,34)
InChIKeyGWCZARMMADKVQS-UHFFFAOYSA-N
MW491.89 g/mol
LogP5.65
Rot. Bonds5

About N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide

N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide (PubChem CID 59513770) has the molecular formula C25H16ClF2N5O2 and a molecular weight of 491.89 g/mol. Its IUPAC name is N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
PubChem CID59513770
Molecular FormulaC25H16ClF2N5O2
Molecular Weight491.89 g/mol
Exact Mass491.10
IUPAC NameN-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
SMILESCOc1cccc2c(-c3ccnc(Cl)n3)c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nn12
InChIInChI=1S/C25H16ClF2N5O2/c1-35-20-10-4-9-19-22(18-11-12-29-25(26)31-18)23(32-33(19)20)14-5-2-6-15(13-14)30-24(34)21-16(27)7-3-8-17(21)28/h2-13H,1H3,(H,30,34)
InChIKeyGWCZARMMADKVQS-UHFFFAOYSA-N
XLogP5.65
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.89
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-[3-[7-(trifluoromethyl)-3-[2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 59513776
N-[5-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]-2-fluorophenyl]-2,6-difluorobenzamide
CID 59513873
N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
CID 58236717
N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]acetamide
CID 59511382
2,6-difluoro-N-[3-[3-[2-(pyridin-3-ylamino)pyrimidin-4-yl]pyrazolo[1,5-b]pyridazin-2-yl]phenyl]benzamide
CID 44529068
N-[3-[3-(2-chloropyrimidin-4-yl)pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,2,2-trifluoroacetamide
CID 59513717
N-[3-[3-[2-[3-[3-(dimethylamino)propoxy]-4-methoxyanilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide
CID 59513850
2,3,6-trifluoro-N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529276
2,6-difluoro-N-[3-[6-fluoro-3-[2-[3-(piperidin-1-ylmethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 143251321
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
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
2,6-difluoro-N-[3-[3-[2-[3-(2-sulfamoylethyl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44529220

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide?
The IUPAC name of N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide (CID 59513770) is N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide is COc1cccc2c(-c3ccnc(Cl)n3)c(-c3cccc(NC(=O)c4c(F)cccc4F)c3)nn12.
What is the InChIKey of N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide?
The InChIKey is GWCZARMMADKVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClF2N5O2/c1-35-20-10-4-9-19-22(18-11-12-29-25(26)31-18)23(32-33(19)20)14-5-2-6-15(13-14)30-24(34)21-16(27)7-3-8-17(21)28/h2-13H,1H3,(H,30,34).
What are the key properties of N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide?
N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide has a molecular weight of 491.89 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(2-chloropyrimidin-4-yl)-7-methoxypyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-difluorobenzamide is sourced from PubChem (CID 59513770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).