3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C21H26FN5 — CID 67949894

IUPAC3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)C[C@@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCC1C
InChIInChI=1S/C21H26FN5/c1-13(2)11-15-12-27(10-8-14(15)3)18-7-6-17(22)20(24-18)19-16-5-4-9-23-21(16)26-25-19/h4-7,9,13-15H,8,10-12H2,1-3H3,(H,23,25,26)/t14?,15-/m1/s1
InChIKeyUUGWUDUCHQNIDK-YSSOQSIOSA-N
MW367.47 g/mol
LogP4.67
Rot. Bonds4

About 3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 67949894) has the molecular formula C21H26FN5 and a molecular weight of 367.47 g/mol. Its IUPAC name is 3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID67949894
Molecular FormulaC21H26FN5
Molecular Weight367.47 g/mol
Exact Mass367.22
IUPAC Name3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)C[C@@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCC1C
InChIInChI=1S/C21H26FN5/c1-13(2)11-15-12-27(10-8-14(15)3)18-7-6-17(22)20(24-18)19-16-5-4-9-23-21(16)26-25-19/h4-7,9,13-15H,8,10-12H2,1-3H3,(H,23,25,26)/t14?,15-/m1/s1
InChIKeyUUGWUDUCHQNIDK-YSSOQSIOSA-N
XLogP4.67
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 67949894) is 3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is CC(C)C[C@@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCC1C.
What is the InChIKey of 3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is UUGWUDUCHQNIDK-YSSOQSIOSA-N. The full InChI is InChI=1S/C21H26FN5/c1-13(2)11-15-12-27(10-8-14(15)3)18-7-6-17(22)20(24-18)19-16-5-4-9-23-21(16)26-25-19/h4-7,9,13-15H,8,10-12H2,1-3H3,(H,23,25,26)/t14?,15-/m1/s1.
What are the key properties of 3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 367.47 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-6-[(3S)-4-methyl-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 67949894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).