3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine

C20H26N6 — CID 125025982

IUPAC3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN1CCC[C@H](c2ccc3c(C)nn(C)c3n2)C1
InChIInChI=1S/C20H26N6/c1-14-17-8-9-18(23-20(17)25(3)24-14)15-7-5-11-26(12-15)13-16-6-4-10-22-19(16)21-2/h4,6,8-10,15H,5,7,11-13H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyZQJHRLPOYKRPBK-HNNXBMFYSA-N
MW350.47 g/mol
LogP3.09
Rot. Bonds4

About 3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine

3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine (PubChem CID 125025982) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine
PubChem CID125025982
Molecular FormulaC20H26N6
Molecular Weight350.47 g/mol
Exact Mass350.22
IUPAC Name3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine
SMILESCNc1ncccc1CN1CCC[C@H](c2ccc3c(C)nn(C)c3n2)C1
InChIInChI=1S/C20H26N6/c1-14-17-8-9-18(23-20(17)25(3)24-14)15-7-5-11-26(12-15)13-16-6-4-10-22-19(16)21-2/h4,6,8-10,15H,5,7,11-13H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyZQJHRLPOYKRPBK-HNNXBMFYSA-N
XLogP3.09
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine with MolForge

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Related Compounds

6-[(3S)-1-[(3-fluoro-2-pyridinyl)methyl]piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 124974081
N-methyl-3-[[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]pyridin-2-amine
CID 125003912
6-[(3S)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine
CID 125012175
N-methyl-3-[[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 95846016
4-[[3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 110118585
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
4-[1-[[2-(methylamino)-3-pyridinyl]methyl]piperidin-3-yl]-2-thiophen-2-yl-1H-pyrimidin-6-one
CID 136766199
3-[(3R)-1-[(2-chlorophenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyridine
CID 92566401
3-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]-N-methylpyridin-2-amine
CID 95829944
6-[1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 110265515
6-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(3-methyl-2-pyridinyl)pyridin-2-amine
CID 95835978
N-methyl-3-[[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 125026728

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine (CID 125025982) is 3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine is CNc1ncccc1CN1CCC[C@H](c2ccc3c(C)nn(C)c3n2)C1.
What is the InChIKey of 3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine?
The InChIKey is ZQJHRLPOYKRPBK-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N6/c1-14-17-8-9-18(23-20(17)25(3)24-14)15-7-5-11-26(12-15)13-16-6-4-10-22-19(16)21-2/h4,6,8-10,15H,5,7,11-13H2,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine?
3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine has a molecular weight of 350.47 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-(1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 125025982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).