3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide

C24H17F2N5O3 — CID 25118573

IUPAC3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O
InChIInChI=1S/C24H17F2N5O3/c1-13-6-7-14(22(32)28-20-8-9-34-29-20)10-16(13)17-11-15-12-27-31(23(15)30(2)24(17)33)21-18(25)4-3-5-19(21)26/h3-12H,1-2H3,(H,28,29,32)
InChIKeyUXETXPAEAHPUNV-UHFFFAOYSA-N
MW461.43 g/mol
LogP4.22
Rot. Bonds4

About 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide

3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 25118573) has the molecular formula C24H17F2N5O3 and a molecular weight of 461.43 g/mol. Its IUPAC name is 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
PubChem CID25118573
Molecular FormulaC24H17F2N5O3
Molecular Weight461.43 g/mol
Exact Mass461.13
IUPAC Name3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccon2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O
InChIInChI=1S/C24H17F2N5O3/c1-13-6-7-14(22(32)28-20-8-9-34-29-20)10-16(13)17-11-15-12-27-31(23(15)30(2)24(17)33)21-18(25)4-3-5-19(21)26/h3-12H,1-2H3,(H,28,29,32)
InChIKeyUXETXPAEAHPUNV-UHFFFAOYSA-N
XLogP4.22
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide (CID 25118573) is 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2ccon2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O.
What is the InChIKey of 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is UXETXPAEAHPUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N5O3/c1-13-6-7-14(22(32)28-20-8-9-34-29-20)10-16(13)17-11-15-12-27-31(23(15)30(2)24(17)33)21-18(25)4-3-5-19(21)26/h3-12H,1-2H3,(H,28,29,32).
What are the key properties of 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide?
3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 461.43 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-5-yl]-4-methyl-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 25118573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).