1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride

C15H23Cl2N5O — CID 119534871

IUPAC1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCc1nn(C)c2ncc(C(=O)NCCC3CCNC3)cc12.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-10-13-7-12(9-18-14(13)20(2)19-10)15(21)17-6-4-11-3-5-16-8-11;;/h7,9,11,16H,3-6,8H2,1-2H3,(H,17,21);2*1H
InChIKeyLXPNTGFEEGUAQG-UHFFFAOYSA-N
MW360.29 g/mol
LogP1.85
Rot. Bonds4

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

1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride (PubChem CID 119534871) has the molecular formula C15H23Cl2N5O and a molecular weight of 360.29 g/mol. Its IUPAC name is 1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
PubChem CID119534871
Molecular FormulaC15H23Cl2N5O
Molecular Weight360.29 g/mol
Exact Mass359.13
IUPAC Name1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCc1nn(C)c2ncc(C(=O)NCCC3CCNC3)cc12.Cl.Cl
InChIInChI=1S/C15H21N5O.2ClH/c1-10-13-7-12(9-18-14(13)20(2)19-10)15(21)17-6-4-11-3-5-16-8-11;;/h7,9,11,16H,3-6,8H2,1-2H3,(H,17,21);2*1H
InChIKeyLXPNTGFEEGUAQG-UHFFFAOYSA-N
XLogP1.85
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119537449
1,3-dimethyl-N-[3-(methylamino)propyl]pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride
CID 119430925
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
N-(2-pyrrolidin-3-ylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119538066
2,4-dioxo-N-(2-piperidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-6-carboxamide;dihydrochloride
CID 119558800
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
N-(2-pyrrolidin-3-ylethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119537028
N-(4-hydroxycyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43394642
5-hydroxy-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide
CID 55257173
1,3-dimethyl-N-(2-piperidin-3-ylethyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 119557464
3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 113460894
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
The IUPAC name of 1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride (CID 119534871) is 1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride.
What is the SMILES notation for 1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
The canonical SMILES for 1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride is Cc1nn(C)c2ncc(C(=O)NCCC3CCNC3)cc12.Cl.Cl.
What is the InChIKey of 1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
The InChIKey is LXPNTGFEEGUAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O.2ClH/c1-10-13-7-12(9-18-14(13)20(2)19-10)15(21)17-6-4-11-3-5-16-8-11;;/h7,9,11,16H,3-6,8H2,1-2H3,(H,17,21);2*1H.
What are the key properties of 1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride?
1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[5,4-b]pyridine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119534871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).