N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride

C20H24Cl2FN5O — CID 120884055

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCC(C)Cn1ncc2cc(C(=O)Nc3ccc4c(c3F)CCNC4)cnc21.Cl.Cl
InChIInChI=1S/C20H22FN5O.2ClH/c1-12(2)11-26-19-14(10-24-26)7-15(9-23-19)20(27)25-17-4-3-13-8-22-6-5-16(13)18(17)21;;/h3-4,7,9-10,12,22H,5-6,8,11H2,1-2H3,(H,25,27);2*1H
InChIKeyYZNSGIPOLLMPDJ-UHFFFAOYSA-N
MW440.35 g/mol
LogP3.97
Rot. Bonds4

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (PubChem CID 120884055) has the molecular formula C20H24Cl2FN5O and a molecular weight of 440.35 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
PubChem CID120884055
Molecular FormulaC20H24Cl2FN5O
Molecular Weight440.35 g/mol
Exact Mass439.13
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
SMILESCC(C)Cn1ncc2cc(C(=O)Nc3ccc4c(c3F)CCNC4)cnc21.Cl.Cl
InChIInChI=1S/C20H22FN5O.2ClH/c1-12(2)11-26-19-14(10-24-26)7-15(9-23-19)20(27)25-17-4-3-13-8-22-6-5-16(13)18(17)21;;/h3-4,7,9-10,12,22H,5-6,8,11H2,1-2H3,(H,25,27);2*1H
InChIKeyYZNSGIPOLLMPDJ-UHFFFAOYSA-N
XLogP3.97
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.35
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120882789
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide;dihydrochloride
CID 120882849
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 120882850
6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride
CID 120883013
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-4-propan-2-ylpyrimidine-5-carboxamide;hydrochloride
CID 120882689
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-propan-2-ylbenzamide
CID 120881766
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 120881889
2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride
CID 120881367
N-(1H-indazol-5-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 51100658
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide
CID 120883840
3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 120881524
4-butan-2-yloxy-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide;hydrochloride
CID 120882245

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride (CID 120884055) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is CC(C)Cn1ncc2cc(C(=O)Nc3ccc4c(c3F)CCNC4)cnc21.Cl.Cl.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
The InChIKey is YZNSGIPOLLMPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O.2ClH/c1-12(2)11-26-19-14(10-24-26)7-15(9-23-19)20(27)25-17-4-3-13-8-22-6-5-16(13)18(17)21;;/h3-4,7,9-10,12,22H,5-6,8,11H2,1-2H3,(H,25,27);2*1H.
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride has a molecular weight of 440.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120884055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).