(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C17H21N7O — CID 129491318

IUPAC(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)c2cnn(C)c2n1
InChIInChI=1S/C17H21N7O/c1-10-8-12(13-9-18-23(3)16(13)19-10)17(25)24-7-5-4-6-14(24)15-20-11(2)21-22-15/h8-9,14H,4-7H2,1-3H3,(H,20,21,22)/t14-/m0/s1
InChIKeyQGQGRIRTCAVYMO-AWEZNQCLSA-N
MW339.40 g/mol
LogP2.07
Rot. Bonds2

About (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 129491318) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID129491318
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)c2cnn(C)c2n1
InChIInChI=1S/C17H21N7O/c1-10-8-12(13-9-18-23(3)16(13)19-10)17(25)24-7-5-4-6-14(24)15-20-11(2)21-22-15/h8-9,14H,4-7H2,1-3H3,(H,20,21,22)/t14-/m0/s1
InChIKeyQGQGRIRTCAVYMO-AWEZNQCLSA-N
XLogP2.07
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 128969759
(6-methyl-3-pyridinyl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491309
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 78885056
(1-methyl-5-propan-2-ylpyrazol-3-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 128969748
[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(1,6-naphthyridin-4-yl)methanone
CID 129492185
(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491287
(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 128969682
(3-methylphenyl)-[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 110194764
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
(1-cyclopentylpiperidin-4-yl)-[(2R)-2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
CID 126448533
(3-methylbenzotriazol-5-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 129491275
[2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 128969712

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 129491318) is (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC[C@H]2c2n[nH]c(C)n2)c2cnn(C)c2n1.
What is the InChIKey of (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is QGQGRIRTCAVYMO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N7O/c1-10-8-12(13-9-18-23(3)16(13)19-10)17(25)24-7-5-4-6-14(24)15-20-11(2)21-22-15/h8-9,14H,4-7H2,1-3H3,(H,20,21,22)/t14-/m0/s1.
What are the key properties of (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129491318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).