(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone

C14H19N5O — CID 124692449

IUPAC(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN[C@@H](C)C2)c2cnn(C)c2n1
InChIInChI=1S/C14H19N5O/c1-9-6-11(12-7-16-18(3)13(12)17-9)14(20)19-5-4-15-10(2)8-19/h6-7,10,15H,4-5,8H2,1-3H3/t10-/m0/s1
InChIKeyOFEXBSUJRJJEIR-JTQLQIEISA-N
MW273.34 g/mol
LogP0.71
Rot. Bonds1

About (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone

(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 124692449) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID124692449
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN[C@@H](C)C2)c2cnn(C)c2n1
InChIInChI=1S/C14H19N5O/c1-9-6-11(12-7-16-18(3)13(12)17-9)14(20)19-5-4-15-10(2)8-19/h6-7,10,15H,4-5,8H2,1-3H3/t10-/m0/s1
InChIKeyOFEXBSUJRJJEIR-JTQLQIEISA-N
XLogP0.71
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81427136
1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 19615869
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120815468
(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 114269672
(3-methylpiperazin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119576277
(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 51854360
[(3R)-3-aminopyrrolidin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 119409294
(2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426616
(1,5-dimethylpyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119578302
(5-chloro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82883730

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone (CID 124692449) is (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN[C@@H](C)C2)c2cnn(C)c2n1.
What is the InChIKey of (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is OFEXBSUJRJJEIR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O/c1-9-6-11(12-7-16-18(3)13(12)17-9)14(20)19-5-4-15-10(2)8-19/h6-7,10,15H,4-5,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone?
(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 273.34 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 124692449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).