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

C18H19F2N7O — CID 89283904

IUPAC3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCN1CCN(c2n[nH]c3ncc(NC(=O)c4c(F)ccc(N)c4F)cc23)CC1
InChIInChI=1S/C18H19F2N7O/c1-26-4-6-27(7-5-26)17-11-8-10(9-22-16(11)24-25-17)23-18(28)14-12(19)2-3-13(21)15(14)20/h2-3,8-9H,4-7,21H2,1H3,(H,23,28)(H,22,24,25)
InChIKeyMLBYGJBOXGKYGT-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.82
Rot. Bonds3

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

3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide (PubChem CID 89283904) has the molecular formula C18H19F2N7O and a molecular weight of 387.39 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
PubChem CID89283904
Molecular FormulaC18H19F2N7O
Molecular Weight387.39 g/mol
Exact Mass387.16
IUPAC Name3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide
SMILESCN1CCN(c2n[nH]c3ncc(NC(=O)c4c(F)ccc(N)c4F)cc23)CC1
InChIInChI=1S/C18H19F2N7O/c1-26-4-6-27(7-5-26)17-11-8-10(9-22-16(11)24-25-17)23-18(28)14-12(19)2-3-13(21)15(14)20/h2-3,8-9H,4-7,21H2,1H3,(H,23,28)(H,22,24,25)
InChIKeyMLBYGJBOXGKYGT-UHFFFAOYSA-N
XLogP1.82
TPSA103.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-(propylsulfonylamino)benzamide
CID 58227760
3-amino-N-[3-(3,5-difluorophenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-2,6-difluorobenzamide
CID 89283875
3-amino-2,6-difluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 79773151
(3-amino-2,6-difluorophenyl)-[5-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 66647035
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-difluorophenyl)-(4-methylpiperazin-1-yl)methanone
CID 79767871
3-amino-2,6-difluoro-N-[2-(3-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide;propan-1-amine
CID 143860291
3-amino-N-(5-ethyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 104616117
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724
2,6-difluoro-3-[(4-methoxyphenyl)diazenyl]-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 155541683
2,6-difluoro-N-(3-methoxy-1H-pyrazolo[5,4-b]pyridin-5-yl)-3-[propyl(sulfamoyl)amino]benzamide
CID 67088874
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-5-(prop-2-enoylamino)-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 175258842

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide (CID 89283904) is 3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide is CN1CCN(c2n[nH]c3ncc(NC(=O)c4c(F)ccc(N)c4F)cc23)CC1.
What is the InChIKey of 3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
The InChIKey is MLBYGJBOXGKYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O/c1-26-4-6-27(7-5-26)17-11-8-10(9-22-16(11)24-25-17)23-18(28)14-12(19)2-3-13(21)15(14)20/h2-3,8-9H,4-7,21H2,1H3,(H,23,28)(H,22,24,25).
What are the key properties of 3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide?
3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide has a molecular weight of 387.39 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 89283904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).