N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide

C33H21F2N7O2 — CID 44529175

IUPACN-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide
SMILESO=C(Nc1c(F)cccc1F)c1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(-c4cnco4)c3)n2)c1
InChIInChI=1S/C33H21F2N7O2/c34-24-10-5-11-25(35)31(24)40-32(43)22-8-3-7-21(16-22)30-29(27-12-1-2-15-42(27)41-30)26-13-14-37-33(39-26)38-23-9-4-6-20(17-23)28-18-36-19-44-28/h1-19H,(H,40,43)(H,37,38,39)
InChIKeyKFAGFGQXQWMOSF-UHFFFAOYSA-N
MW585.57 g/mol
LogP7.39
Rot. Bonds7

About N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide

N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide (PubChem CID 44529175) has the molecular formula C33H21F2N7O2 and a molecular weight of 585.57 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide
PubChem CID44529175
Molecular FormulaC33H21F2N7O2
Molecular Weight585.57 g/mol
Exact Mass585.17
IUPAC NameN-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide
SMILESO=C(Nc1c(F)cccc1F)c1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(-c4cnco4)c3)n2)c1
InChIInChI=1S/C33H21F2N7O2/c34-24-10-5-11-25(35)31(24)40-32(43)22-8-3-7-21(16-22)30-29(27-12-1-2-15-42(27)41-30)26-13-14-37-33(39-26)38-23-9-4-6-20(17-23)28-18-36-19-44-28/h1-19H,(H,40,43)(H,37,38,39)
InChIKeyKFAGFGQXQWMOSF-UHFFFAOYSA-N
XLogP7.39
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.57
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide (CID 44529175) is N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide is O=C(Nc1c(F)cccc1F)c1cccc(-c2nn3ccccc3c2-c2ccnc(Nc3cccc(-c4cnco4)c3)n2)c1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide?
The InChIKey is KFAGFGQXQWMOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21F2N7O2/c34-24-10-5-11-25(35)31(24)40-32(43)22-8-3-7-21(16-22)30-29(27-12-1-2-15-42(27)41-30)26-13-14-37-33(39-26)38-23-9-4-6-20(17-23)28-18-36-19-44-28/h1-19H,(H,40,43)(H,37,38,39).
What are the key properties of N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide?
N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide has a molecular weight of 585.57 g/mol, XLogP of 7.39, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-[3-[2-[3-(1,3-oxazol-5-yl)anilino]pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]benzamide is sourced from PubChem (CID 44529175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).