1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen

C17H21FN6 — CID 158340676

IUPAC1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen
SMILESCNC1CCN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CC1.[H][H]
InChIInChI=1S/C17H19FN6.H2/c1-19-11-6-9-24(10-7-11)14-5-4-13(18)16(21-14)15-12-3-2-8-20-17(12)23-22-15;/h2-5,8,11,19H,6-7,9-10H2,1H3,(H,20,22,23);1H
InChIKeyGRCWUAISLAYENF-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.59
Rot. Bonds3

About 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen

1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen (PubChem CID 158340676) has the molecular formula C17H21FN6 and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen.

Molecular Properties

Compound Name1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen
PubChem CID158340676
Molecular FormulaC17H21FN6
Molecular Weight328.39 g/mol
Exact Mass328.18
IUPAC Name1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen
SMILESCNC1CCN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CC1.[H][H]
InChIInChI=1S/C17H19FN6.H2/c1-19-11-6-9-24(10-7-11)14-5-4-13(18)16(21-14)15-12-3-2-8-20-17(12)23-22-15;/h2-5,8,11,19H,6-7,9-10H2,1H3,(H,20,22,23);1H
InChIKeyGRCWUAISLAYENF-UHFFFAOYSA-N
XLogP2.59
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen with MolForge

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Related Compounds

1-[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2-methylpropan-1-amine;molecular hydrogen
CID 160956328
3-[3-fluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
CID 160924712
(3R,4S)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-4-methyl-3-(2-methylpropyl)piperidin-3-ol;molecular hydrogen
CID 157434128
3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949894
N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen
CID 162038609
[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine
CID 67949944
3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-4-ium-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 143931194
1-[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]-2,2-dimethylbutan-1-amine
CID 67949940
1-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]-2,2-dimethylcyclopropan-1-ol;molecular hydrogen
CID 160738314
3-[3-fluoro-6-[3-(2-methoxypropan-2-yl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949776
3,3-difluoro-2-[4-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperazin-2-yl]butan-2-ol
CID 67949830
[(3R)-1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]pyrrolidin-3-yl]methanamine;molecular hydrogen;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methanamine;2-[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propan-2-amine
CID 161498589

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen?
The IUPAC name of 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen (CID 158340676) is 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen.
What is the SMILES notation for 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen?
The canonical SMILES for 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen is CNC1CCN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CC1.[H][H].
What is the InChIKey of 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen?
The InChIKey is GRCWUAISLAYENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6.H2/c1-19-11-6-9-24(10-7-11)14-5-4-13(18)16(21-14)15-12-3-2-8-20-17(12)23-22-15;/h2-5,8,11,19H,6-7,9-10H2,1H3,(H,20,22,23);1H.
What are the key properties of 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen?
1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen has a molecular weight of 328.39 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen is sourced from PubChem (CID 158340676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).