3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide

C19H11F4N5O — CID 89283875

IUPAC3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide
SMILESNc1ccc(F)c(C(=O)Nc2cnc3n[nH]c(-c4cc(F)cc(F)c4)c3c2)c1F
InChIInChI=1S/C19H11F4N5O/c20-9-3-8(4-10(21)5-9)17-12-6-11(7-25-18(12)28-27-17)26-19(29)15-13(22)1-2-14(24)16(15)23/h1-7H,24H2,(H,26,29)(H,25,27,28)
InChIKeyDPCLSYOQINGVQH-UHFFFAOYSA-N
MW401.32 g/mol
LogP4.02
Rot. Bonds3

About 3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide

3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide (PubChem CID 89283875) has the molecular formula C19H11F4N5O and a molecular weight of 401.32 g/mol. Its IUPAC name is 3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide
PubChem CID89283875
Molecular FormulaC19H11F4N5O
Molecular Weight401.32 g/mol
Exact Mass401.09
IUPAC Name3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide
SMILESNc1ccc(F)c(C(=O)Nc2cnc3n[nH]c(-c4cc(F)cc(F)c4)c3c2)c1F
InChIInChI=1S/C19H11F4N5O/c20-9-3-8(4-10(21)5-9)17-12-6-11(7-25-18(12)28-27-17)26-19(29)15-13(22)1-2-14(24)16(15)23/h1-7H,24H2,(H,26,29)(H,25,27,28)
InChIKeyDPCLSYOQINGVQH-UHFFFAOYSA-N
XLogP4.02
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-2,6-difluoro-N-[3-(2-methylpropyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzamide;1-nitrosopropane
CID 143860390
3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
CID 89283904
N-[3-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-4,5-dimethylpyrazolidine-3-carboxamide
CID 146012238
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 104616117
3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 79773151
3-amino-N-[3-(4-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorocyclohexa-1,3-diene-1-carboxamide
CID 70258546
4-cyano-2,6-difluoro-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)benzamide
CID 75393131
3-amino-2,6-difluoro-N-(1H-indazol-4-yl)benzamide
CID 79758086
3-amino-N-(4-ethylphenyl)-2,6-difluorobenzamide
CID 79773210
2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 155541683
3-amino-6-chloro-2-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 89151606

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide?
The IUPAC name of 3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide (CID 89283875) is 3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide.
What is the SMILES notation for 3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide?
The canonical SMILES for 3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide is Nc1ccc(F)c(C(=O)Nc2cnc3n[nH]c(-c4cc(F)cc(F)c4)c3c2)c1F.
What is the InChIKey of 3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide?
The InChIKey is DPCLSYOQINGVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F4N5O/c20-9-3-8(4-10(21)5-9)17-12-6-11(7-25-18(12)28-27-17)26-19(29)15-13(22)1-2-14(24)16(15)23/h1-7H,24H2,(H,26,29)(H,25,27,28).
What are the key properties of 3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide?
3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide has a molecular weight of 401.32 g/mol, XLogP of 4.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 89283875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).