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

C19H23FN6 — CID 67949700

IUPAC3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)C[C@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCN1
InChIInChI=1S/C19H23FN6/c1-12(2)10-13-11-26(9-8-21-13)16-6-5-15(20)18(23-16)17-14-4-3-7-22-19(14)25-24-17/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,24,25)/t13-/m0/s1
InChIKeyMCQPMCDEXWCMDM-ZDUSSCGKSA-N
MW354.43 g/mol
LogP2.98
Rot. Bonds4

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

3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 67949700) has the molecular formula C19H23FN6 and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
PubChem CID67949700
Molecular FormulaC19H23FN6
Molecular Weight354.43 g/mol
Exact Mass354.20
IUPAC Name3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
SMILESCC(C)C[C@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCN1
InChIInChI=1S/C19H23FN6/c1-12(2)10-13-11-26(9-8-21-13)16-6-5-15(20)18(23-16)17-14-4-3-7-22-19(14)25-24-17/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,24,25)/t13-/m0/s1
InChIKeyMCQPMCDEXWCMDM-ZDUSSCGKSA-N
XLogP2.98
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 67949700) is 3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is CC(C)C[C@H]1CN(c2ccc(F)c(-c3[nH]nc4ncccc34)n2)CCN1.
What is the InChIKey of 3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is MCQPMCDEXWCMDM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23FN6/c1-12(2)10-13-11-26(9-8-21-13)16-6-5-15(20)18(23-16)17-14-4-3-7-22-19(14)25-24-17/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,24,25)/t13-/m0/s1.
What are the key properties of 3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?
3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 354.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 67949700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).