1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C18H26N4O — CID 125027002

IUPAC1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1nn(C)c2nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)ccc12
InChIInChI=1S/C18H26N4O/c1-12-14-8-9-15(19-16(14)21(5)20-12)13-7-6-10-22(11-13)17(23)18(2,3)4/h8-9,13H,6-7,10-11H2,1-5H3/t13-/m0/s1
InChIKeyZXUSFRSFCLHLOV-ZDUSSCGKSA-N
MW314.43 g/mol
LogP3.03
Rot. Bonds1

About 1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 125027002) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID125027002
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCc1nn(C)c2nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)ccc12
InChIInChI=1S/C18H26N4O/c1-12-14-8-9-15(19-16(14)21(5)20-12)13-7-6-10-22(11-13)17(23)18(2,3)4/h8-9,13H,6-7,10-11H2,1-5H3/t13-/m0/s1
InChIKeyZXUSFRSFCLHLOV-ZDUSSCGKSA-N
XLogP3.03
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110118587
2,2-dimethyl-1-(3-pyridin-2-ylpiperidin-1-yl)propan-1-one
CID 110256044
4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 110118585
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 125012175
6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 124974081
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-[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 92630724
2,2-dimethyl-1-[(3S)-3-[2-methyl-6-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 124961289
4-[2-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]benzoic acid
CID 110120422
(4S)-4-[4-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidine-1-carbonyl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 92631623
1-[(3R)-3-[2-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 95093754
3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 110120354

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 125027002) is 1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is Cc1nn(C)c2nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)ccc12.
What is the InChIKey of 1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is ZXUSFRSFCLHLOV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26N4O/c1-12-14-8-9-15(19-16(14)21(5)20-12)13-7-6-10-22(11-13)17(23)18(2,3)4/h8-9,13H,6-7,10-11H2,1-5H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 314.43 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 125027002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).