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

C19H25FN6O — CID 162038609

IUPACN-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen
SMILESCC(=O)NCC1CCCN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)C1.[H][H].[H][H]
InChIInChI=1S/C19H21FN6O.2H2/c1-12(27)22-10-13-4-3-9-26(11-13)16-7-6-15(20)18(23-16)17-14-5-2-8-21-19(14)25-24-17;;/h2,5-8,13H,3-4,9-11H2,1H3,(H,22,27)(H,21,24,25);2*1H
InChIKeyYWYXSJUHXMEBLF-UHFFFAOYSA-N
MW372.45 g/mol
LogP3.00
Rot. Bonds4

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

N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen (PubChem CID 162038609) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen.

Molecular Properties

Compound NameN-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen
PubChem CID162038609
Molecular FormulaC19H25FN6O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC NameN-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen
SMILESCC(=O)NCC1CCCN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)C1.[H][H].[H][H]
InChIInChI=1S/C19H21FN6O.2H2/c1-12(27)22-10-13-4-3-9-26(11-13)16-7-6-15(20)18(23-16)17-14-5-2-8-21-19(14)25-24-17;;/h2,5-8,13H,3-4,9-11H2,1H3,(H,22,27)(H,21,24,25);2*1H
InChIKeyYWYXSJUHXMEBLF-UHFFFAOYSA-N
XLogP3.00
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;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
1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-N-methylpiperidin-4-amine;molecular hydrogen
CID 158340676
[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-yl]methanamine
CID 67949944
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-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]methanol
CID 67949840
3-[3-fluoro-6-[(3R)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
CID 160924712
3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949894
(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
[(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
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
3-[3-fluoro-6-[3-(2-methoxypropan-2-yl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 67949776
1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-ol
CID 67949978

Frequently Asked Questions

What is the IUPAC name of N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen?
The IUPAC name of N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen (CID 162038609) is N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen.
What is the SMILES notation for N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen?
The canonical SMILES for N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen is CC(=O)NCC1CCCN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)C1.[H][H].[H][H].
What is the InChIKey of N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen?
The InChIKey is YWYXSJUHXMEBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O.2H2/c1-12(27)22-10-13-4-3-9-26(11-13)16-7-6-15(20)18(23-16)17-14-5-2-8-21-19(14)25-24-17;;/h2,5-8,13H,3-4,9-11H2,1H3,(H,22,27)(H,21,24,25);2*1H.
What are the key properties of N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen?
N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen has a molecular weight of 372.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[5-fluoro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-3-yl]methyl]acetamide;molecular hydrogen is sourced from PubChem (CID 162038609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).