[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C17H20N6O — CID 110118587

IUPAC[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1nn(C)c2nc(C3CCCN(C(=O)c4ccn[nH]4)C3)ccc12
InChIInChI=1S/C17H20N6O/c1-11-13-5-6-14(19-16(13)22(2)21-11)12-4-3-9-23(10-12)17(24)15-7-8-18-20-15/h5-8,12H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyLWUMFCXFJIOLDX-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.02
Rot. Bonds2

About [3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 110118587) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is [3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID110118587
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCc1nn(C)c2nc(C3CCCN(C(=O)c4ccn[nH]4)C3)ccc12
InChIInChI=1S/C17H20N6O/c1-11-13-5-6-14(19-16(13)22(2)21-11)12-4-3-9-23(10-12)17(24)15-7-8-18-20-15/h5-8,12H,3-4,9-10H2,1-2H3,(H,18,20)
InChIKeyLWUMFCXFJIOLDX-UHFFFAOYSA-N
XLogP2.02
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 125027002
[(3R)-3-(3-amino-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 125017315
[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 97313996
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 125012175
[(3S)-3-(6-imidazol-1-yl-2-pyridinyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95838490
[3-[6-(2-fluorophenyl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110249747
[3-(4,8-dimethyl-6,7-dihydro-5H-pyrido[2,3-d]pyrimidin-2-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110268686
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95838924
[3-[4-methyl-5-(piperidine-1-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110248102
[3-(methylamino)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 63080160
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95816441
2-[(3S)-1-(1H-pyrazole-5-carbonyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136681799

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 110118587) is [3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is Cc1nn(C)c2nc(C3CCCN(C(=O)c4ccn[nH]4)C3)ccc12.
What is the InChIKey of [3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is LWUMFCXFJIOLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-13-5-6-14(19-16(13)22(2)21-11)12-4-3-9-23(10-12)17(24)15-7-8-18-20-15/h5-8,12H,3-4,9-10H2,1-2H3,(H,18,20).
What are the key properties of [3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 324.39 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110118587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).