(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

C18H22N6O — CID 95383314

IUPAC(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@H]2CCCN(C(=O)c3cc(C)nc4n[nH]c(C)c34)C2)c1
InChIInChI=1S/C18H22N6O/c1-11-8-19-24(9-11)14-5-4-6-23(10-14)18(25)15-7-12(2)20-17-16(15)13(3)21-22-17/h7-9,14H,4-6,10H2,1-3H3,(H,20,21,22)/t14-/m0/s1
InChIKeyUVIMKQQZBPILCT-AWEZNQCLSA-N
MW338.42 g/mol
LogP2.56
Rot. Bonds2

About (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95383314) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
PubChem CID95383314
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cnn([C@H]2CCCN(C(=O)c3cc(C)nc4n[nH]c(C)c34)C2)c1
InChIInChI=1S/C18H22N6O/c1-11-8-19-24(9-11)14-5-4-6-23(10-14)18(25)15-7-12(2)20-17-16(15)13(3)21-22-17/h7-9,14H,4-6,10H2,1-3H3,(H,20,21,22)/t14-/m0/s1
InChIKeyUVIMKQQZBPILCT-AWEZNQCLSA-N
XLogP2.56
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-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

[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95382852
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 95282732
(5-cyclopropyl-1-methylpyrazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95281794
(2-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119947144
(5-bromofuran-3-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280559
(2-cyclopropyl-1,3-thiazol-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95280583
(3-aminophenyl)-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119881469
1-(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridine-4-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122117752
5-[(3R)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95286731
[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95382966
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 95383312

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone (CID 95383314) is (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is Cc1cnn([C@H]2CCCN(C(=O)c3cc(C)nc4n[nH]c(C)c34)C2)c1.
What is the InChIKey of (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is UVIMKQQZBPILCT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N6O/c1-11-8-19-24(9-11)14-5-4-6-23(10-14)18(25)15-7-12(2)20-17-16(15)13(3)21-22-17/h7-9,14H,4-6,10H2,1-3H3,(H,20,21,22)/t14-/m0/s1.
What are the key properties of (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone?
(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 338.42 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95383314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).