3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide

C21H17F2N5O2 — CID 45270079

IUPAC3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1Nc1cc(=O)n(C)c2c1cnn2-c1cc(F)ccc1F
InChIInChI=1S/C21H17F2N5O2/c1-11-3-4-12(20(24)30)7-16(11)26-17-9-19(29)27(2)21-14(17)10-25-28(21)18-8-13(22)5-6-15(18)23/h3-10,26H,1-2H3,(H2,24,30)
InChIKeyQHKILKQNGOAQFM-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.15
Rot. Bonds4

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

3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide (PubChem CID 45270079) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide.

Molecular Properties

Compound Name3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide
PubChem CID45270079
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide
SMILESCc1ccc(C(N)=O)cc1Nc1cc(=O)n(C)c2c1cnn2-c1cc(F)ccc1F
InChIInChI=1S/C21H17F2N5O2/c1-11-3-4-12(20(24)30)7-16(11)26-17-9-19(29)27(2)21-14(17)10-25-28(21)18-8-13(22)5-6-15(18)23/h3-10,26H,1-2H3,(H2,24,30)
InChIKeyQHKILKQNGOAQFM-UHFFFAOYSA-N
XLogP3.15
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide?
The IUPAC name of 3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide (CID 45270079) is 3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide.
What is the SMILES notation for 3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide?
The canonical SMILES for 3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide is Cc1ccc(C(N)=O)cc1Nc1cc(=O)n(C)c2c1cnn2-c1cc(F)ccc1F.
What is the InChIKey of 3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide?
The InChIKey is QHKILKQNGOAQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-11-3-4-12(20(24)30)7-16(11)26-17-9-19(29)27(2)21-14(17)10-25-28(21)18-8-13(22)5-6-15(18)23/h3-10,26H,1-2H3,(H2,24,30).
What are the key properties of 3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide?
3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide has a molecular weight of 409.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,5-difluorophenyl)-7-methyl-6-oxopyrazolo[5,4-b]pyridin-4-yl]amino]-4-methylbenzamide is sourced from PubChem (CID 45270079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).