6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride

C20H22Cl2FN5O — CID 120883013

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3F)CCNC4)cn2)n1.Cl.Cl
InChIInChI=1S/C20H20FN5O.2ClH/c1-12-9-13(2)26(25-12)18-6-4-15(11-23-18)20(27)24-17-5-3-14-10-22-8-7-16(14)19(17)21;;/h3-6,9,11,22H,7-8,10H2,1-2H3,(H,24,27);2*1H
InChIKeyRBRXGKDXAVVIDR-UHFFFAOYSA-N
MW438.33 g/mol
LogP3.76
Rot. Bonds3

About 6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride

6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 120883013) has the molecular formula C20H22Cl2FN5O and a molecular weight of 438.33 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride
PubChem CID120883013
Molecular FormulaC20H22Cl2FN5O
Molecular Weight438.33 g/mol
Exact Mass437.12
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3F)CCNC4)cn2)n1.Cl.Cl
InChIInChI=1S/C20H20FN5O.2ClH/c1-12-9-13(2)26(25-12)18-6-4-15(11-23-18)20(27)24-17-5-3-14-10-22-8-7-16(14)19(17)21;;/h3-6,9,11,22H,7-8,10H2,1-2H3,(H,24,27);2*1H
InChIKeyRBRXGKDXAVVIDR-UHFFFAOYSA-N
XLogP3.76
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.33
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-diacetamido-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)benzamide
CID 120881524
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dimethylbenzamide
CID 120883840
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide;dihydrochloride
CID 120884055
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,5-dimethylpyrazole-4-carboxamide;hydrochloride
CID 120881889
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1,3,5-trimethylpyrazole-4-carboxamide;hydrochloride
CID 120883127
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 120883212
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 71919216
2-(dimethylamino)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-4-carboxamide;dihydrochloride
CID 120881367
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-(2-methylpropoxy)benzamide;hydrochloride
CID 120882789
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120882169
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2,5-dimethylbenzamide;hydrochloride
CID 120882587

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride (CID 120883013) is 6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc4c(c3F)CCNC4)cn2)n1.Cl.Cl.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is RBRXGKDXAVVIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O.2ClH/c1-12-9-13(2)26(25-12)18-6-4-15(11-23-18)20(27)24-17-5-3-14-10-22-8-7-16(14)19(17)21;;/h3-6,9,11,22H,7-8,10H2,1-2H3,(H,24,27);2*1H.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride?
6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 438.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120883013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).