6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine

C19H22FN5 — CID 124974081

IUPAC6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2nc([C@H]3CCCN(Cc4ncccc4F)C3)ccc12
InChIInChI=1S/C19H22FN5/c1-13-15-7-8-17(22-19(15)24(2)23-13)14-5-4-10-25(11-14)12-18-16(20)6-3-9-21-18/h3,6-9,14H,4-5,10-12H2,1-2H3/t14-/m0/s1
InChIKeyKOFGDWKVLZPAEL-AWEZNQCLSA-N
MW339.42 g/mol
LogP3.19
Rot. Bonds3

About 6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine

6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine (PubChem CID 124974081) has the molecular formula C19H22FN5 and a molecular weight of 339.42 g/mol. Its IUPAC name is 6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
PubChem CID124974081
Molecular FormulaC19H22FN5
Molecular Weight339.42 g/mol
Exact Mass339.19
IUPAC Name6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2nc([C@H]3CCCN(Cc4ncccc4F)C3)ccc12
InChIInChI=1S/C19H22FN5/c1-13-15-7-8-17(22-19(15)24(2)23-13)14-5-4-10-25(11-14)12-18-16(20)6-3-9-21-18/h3,6-9,14H,4-5,10-12H2,1-2H3/t14-/m0/s1
InChIKeyKOFGDWKVLZPAEL-AWEZNQCLSA-N
XLogP3.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine with MolForge

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Related Compounds

3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 125025982
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 125012175
4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 110118585
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-3-pyridinyl]methanol
CID 110129610
6-[(3S)-1-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 92630724
1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 125027002
[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110118587
3-[(3R)-1-[(4-chloro-3-fluorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566391
1,3-dimethyl-6-[1-[[2-(4-methylphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]pyrazolo[5,4-b]pyridine
CID 92631648
1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 110118742
(4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 92631623
3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566401

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine (CID 124974081) is 6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine is Cc1nn(C)c2nc([C@H]3CCCN(Cc4ncccc4F)C3)ccc12.
What is the InChIKey of 6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
The InChIKey is KOFGDWKVLZPAEL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22FN5/c1-13-15-7-8-17(22-19(15)24(2)23-13)14-5-4-10-25(11-14)12-18-16(20)6-3-9-21-18/h3,6-9,14H,4-5,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine?
6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine has a molecular weight of 339.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 124974081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).