3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

C21H15F2N5O3 — CID 71456634

IUPAC3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NC(=O)c4ccccc4)c3F)cc12
InChIInChI=1S/C21H15F2N5O3/c1-31-21-13-9-12(10-24-18(13)27-28-21)25-20(30)16-14(22)7-8-15(17(16)23)26-19(29)11-5-3-2-4-6-11/h2-10H,1H3,(H,25,30)(H,26,29)(H,24,27,28)
InChIKeyAEJBPCJCJUOOQQ-UHFFFAOYSA-N
MW423.38 g/mol
LogP3.75
Rot. Bonds5

About 3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide

3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (PubChem CID 71456634) has the molecular formula C21H15F2N5O3 and a molecular weight of 423.38 g/mol. Its IUPAC name is 3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
PubChem CID71456634
Molecular FormulaC21H15F2N5O3
Molecular Weight423.38 g/mol
Exact Mass423.11
IUPAC Name3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
SMILESCOc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NC(=O)c4ccccc4)c3F)cc12
InChIInChI=1S/C21H15F2N5O3/c1-31-21-13-9-12(10-24-18(13)27-28-21)25-20(30)16-14(22)7-8-15(17(16)23)26-19(29)11-5-3-2-4-6-11/h2-10H,1H3,(H,25,30)(H,26,29)(H,24,27,28)
InChIKeyAEJBPCJCJUOOQQ-UHFFFAOYSA-N
XLogP3.75
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide (CID 71456634) is 3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is COc1n[nH]c2ncc(NC(=O)c3c(F)ccc(NC(=O)c4ccccc4)c3F)cc12.
What is the InChIKey of 3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
The InChIKey is AEJBPCJCJUOOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O3/c1-31-21-13-9-12(10-24-18(13)27-28-21)25-20(30)16-14(22)7-8-15(17(16)23)26-19(29)11-5-3-2-4-6-11/h2-10H,1H3,(H,25,30)(H,26,29)(H,24,27,28).
What are the key properties of 3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide?
3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide has a molecular weight of 423.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 71456634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).