1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine

C12H17N5 — CID 83850463

IUPAC1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine
SMILESCc1nn(C)c2ccnc(N3CCNCC3)c12
InChIInChI=1S/C12H17N5/c1-9-11-10(16(2)15-9)3-4-14-12(11)17-7-5-13-6-8-17/h3-4,13H,5-8H2,1-2H3
InChIKeyXPLQFTKXQBLRGY-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.69
Rot. Bonds1

About 1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine

1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine (PubChem CID 83850463) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine
PubChem CID83850463
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine
SMILESCc1nn(C)c2ccnc(N3CCNCC3)c12
InChIInChI=1S/C12H17N5/c1-9-11-10(16(2)15-9)3-4-14-12(11)17-7-5-13-6-8-17/h3-4,13H,5-8H2,1-2H3
InChIKeyXPLQFTKXQBLRGY-UHFFFAOYSA-N
XLogP0.69
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-1-piperazin-1-ylisoquinoline
CID 82571211
1-(3-methyl-2-pyridinyl)piperazine
CID 2760057
1,3-dimethylpyrazolo[4,5-c]pyridin-4-amine;ethane
CID 155748773
3-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 84683022
1-(1,4-diazepan-1-yl)-8-methylisoquinolin-5-amine
CID 82570609
6-fluoro-1-methyl-3-piperazin-1-ylindazole
CID 57288781
(2-piperazin-1-yl-3-pyridinyl)boronic acid
CID 53445093
1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
1-piperazin-1-ylisoquinolin-5-amine
CID 82570237
4-piperazin-1-ylfuro[3,2-c]pyridine;dihydrochloride
CID 134830355
1-[(4-fluorophenyl)methyl]-2-methyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
CID 126720421
5-methyl-4-piperazin-1-yl-1,3-oxazole
CID 96737858

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine?
The IUPAC name of 1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine (CID 83850463) is 1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine.
What is the SMILES notation for 1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine?
The canonical SMILES for 1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine is Cc1nn(C)c2ccnc(N3CCNCC3)c12.
What is the InChIKey of 1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine?
The InChIKey is XPLQFTKXQBLRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-11-10(16(2)15-9)3-4-14-12(11)17-7-5-13-6-8-17/h3-4,13H,5-8H2,1-2H3.
What are the key properties of 1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine?
1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine has a molecular weight of 231.30 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-piperazin-1-ylpyrazolo[4,5-c]pyridine is sourced from PubChem (CID 83850463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).