1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine

C17H26N6 — CID 120967699

IUPAC1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2ncc(CN3CCC(N4CCNCC4)C3)cc12
InChIInChI=1S/C17H26N6/c1-13-16-9-14(10-19-17(16)21(2)20-13)11-22-6-3-15(12-22)23-7-4-18-5-8-23/h9-10,15,18H,3-8,11-12H2,1-2H3
InChIKeyOTBBKOYTVVOFJC-UHFFFAOYSA-N
MW314.44 g/mol
LogP0.76
Rot. Bonds3

About 1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine

1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine (PubChem CID 120967699) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine
PubChem CID120967699
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine
SMILESCc1nn(C)c2ncc(CN3CCC(N4CCNCC4)C3)cc12
InChIInChI=1S/C17H26N6/c1-13-16-9-14(10-19-17(16)21(2)20-13)11-22-6-3-15(12-22)23-7-4-18-5-8-23/h9-10,15,18H,3-8,11-12H2,1-2H3
InChIKeyOTBBKOYTVVOFJC-UHFFFAOYSA-N
XLogP0.76
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]-2-methylmorpholine
CID 87015309
N,N-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrimidin-2-amine
CID 120968118
3-[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 87014914
1-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120968218
[1-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 86831548
6-bromo-8-methyl-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 120968560
2-methyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967694
1-[1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]pyrrolidin-3-yl]piperazine
CID 120967554
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
2-(2-bromophenyl)-4-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methyl]morpholine
CID 86879238
1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine
CID 104822700
methyl 2-[2,6-dimethyl-4-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetate
CID 120967454

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine (CID 120967699) is 1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine is Cc1nn(C)c2ncc(CN3CCC(N4CCNCC4)C3)cc12.
What is the InChIKey of 1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine?
The InChIKey is OTBBKOYTVVOFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-13-16-9-14(10-19-17(16)21(2)20-13)11-22-6-3-15(12-22)23-7-4-18-5-8-23/h9-10,15,18H,3-8,11-12H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine?
1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine has a molecular weight of 314.44 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 120967699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).