[3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride

C16H25Cl2N5O — CID 119594000

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride
SMILESCc1nn(C)c2ncc(C(=O)N3CCCC(C(C)N)C3)cc12.Cl.Cl
InChIInChI=1S/C16H23N5O.2ClH/c1-10(17)12-5-4-6-21(9-12)16(22)13-7-14-11(2)19-20(3)15(14)18-8-13;;/h7-8,10,12H,4-6,9,17H2,1-3H3;2*1H
InChIKeyXXKCSBJYUVPJMQ-UHFFFAOYSA-N
MW374.32 g/mol
LogP2.32
Rot. Bonds2

About [3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride (PubChem CID 119594000) has the molecular formula C16H25Cl2N5O and a molecular weight of 374.32 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride
PubChem CID119594000
Molecular FormulaC16H25Cl2N5O
Molecular Weight374.32 g/mol
Exact Mass373.14
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride
SMILESCc1nn(C)c2ncc(C(=O)N3CCCC(C(C)N)C3)cc12.Cl.Cl
InChIInChI=1S/C16H23N5O.2ClH/c1-10(17)12-5-4-6-21(9-12)16(22)13-7-14-11(2)19-20(3)15(14)18-8-13;;/h7-8,10,12H,4-6,9,17H2,1-3H3;2*1H
InChIKeyXXKCSBJYUVPJMQ-UHFFFAOYSA-N
XLogP2.32
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[(3R)-3-propoxypiperidin-1-yl]methanone
CID 95588132
1,4-diazepan-1-yl-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone
CID 119415537
(2S)-1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137578
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 115875033
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119645490
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543986
[3-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119596663
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 124592102
[3-(1-aminoethyl)piperidin-1-yl]-(4-methyl-1,3-oxazol-5-yl)methanone;dihydrochloride
CID 119594797
[3-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119592720
methyl 2-[1-(1,3-dimethylpyrazolo[5,4-b]pyridine-5-carbonyl)piperidin-2-yl]acetate
CID 78901742
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride (CID 119594000) is [3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride is Cc1nn(C)c2ncc(C(=O)N3CCCC(C(C)N)C3)cc12.Cl.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride?
The InChIKey is XXKCSBJYUVPJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.2ClH/c1-10(17)12-5-4-6-21(9-12)16(22)13-7-14-11(2)19-20(3)15(14)18-8-13;;/h7-8,10,12H,4-6,9,17H2,1-3H3;2*1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride has a molecular weight of 374.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 119594000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).