3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride

C14H22Cl2N6O — CID 119449154

IUPAC3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCc1[nH]nc2ncc(C(=O)NCCN3CCNCC3)cc12.Cl.Cl
InChIInChI=1S/C14H20N6O.2ClH/c1-10-12-8-11(9-17-13(12)19-18-10)14(21)16-4-7-20-5-2-15-3-6-20;;/h8-9,15H,2-7H2,1H3,(H,16,21)(H,17,18,19);2*1H
InChIKeyOCALSUSXNCWNKX-UHFFFAOYSA-N
MW361.28 g/mol
LogP0.74
Rot. Bonds4

About 3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride

3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (PubChem CID 119449154) has the molecular formula C14H22Cl2N6O and a molecular weight of 361.28 g/mol. Its IUPAC name is 3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
PubChem CID119449154
Molecular FormulaC14H22Cl2N6O
Molecular Weight361.28 g/mol
Exact Mass360.12
IUPAC Name3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCc1[nH]nc2ncc(C(=O)NCCN3CCNCC3)cc12.Cl.Cl
InChIInChI=1S/C14H20N6O.2ClH/c1-10-12-8-11(9-17-13(12)19-18-10)14(21)16-4-7-20-5-2-15-3-6-20;;/h8-9,15H,2-7H2,1H3,(H,16,21)(H,17,18,19);2*1H
InChIKeyOCALSUSXNCWNKX-UHFFFAOYSA-N
XLogP0.74
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride with MolForge

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Related Compounds

3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119446105
6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318
3-methyl-N-piperidin-3-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119429139
6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 58772630
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119447776
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
4-methyl-3-methylsulfonyl-N-(2-piperazin-1-ylethyl)benzamide
CID 119446273
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66127121
N-[1-(aminomethyl)cyclopentyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 119568411
N-(8-acetyl-8-azaspiro[4.5]decan-3-yl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 166379175
N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 119446681
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The IUPAC name of 3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (CID 119449154) is 3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.
What is the SMILES notation for 3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The canonical SMILES for 3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is Cc1[nH]nc2ncc(C(=O)NCCN3CCNCC3)cc12.Cl.Cl.
What is the InChIKey of 3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The InChIKey is OCALSUSXNCWNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O.2ClH/c1-10-12-8-11(9-17-13(12)19-18-10)14(21)16-4-7-20-5-2-15-3-6-20;;/h8-9,15H,2-7H2,1H3,(H,16,21)(H,17,18,19);2*1H.
What are the key properties of 3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride has a molecular weight of 361.28 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperazin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119449154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).