N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide

C20H16F2N4O — CID 109121816

IUPACN-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C20H16F2N4O/c21-16-6-5-15(11-17(16)22)23-20(27)18-7-8-19(25-24-18)26-10-9-13-3-1-2-4-14(13)12-26/h1-8,11H,9-10,12H2,(H,23,27)
InChIKeyCDOOHJAJLKFFDB-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.57
Rot. Bonds3

About N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide

N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide (PubChem CID 109121816) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
PubChem CID109121816
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC NameN-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccc(N2CCc3ccccc3C2)nn1
InChIInChI=1S/C20H16F2N4O/c21-16-6-5-15(11-17(16)22)23-20(27)18-7-8-19(25-24-18)26-10-9-13-3-1-2-4-14(13)12-26/h1-8,11H,9-10,12H2,(H,23,27)
InChIKeyCDOOHJAJLKFFDB-UHFFFAOYSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 109121754
N-(3,4-difluorophenyl)-6-(4-phenylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109123134
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
N-(3-chloro-4-fluorophenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-4-carboxamide
CID 109172428
N-(4-chlorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidine-4-carboxamide
CID 109350691
N-(3,4-difluorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridazine-3-carboxamide
CID 109123570
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
N-(3,4-difluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridazine-3-carboxamide
CID 109130264
N-(3-chloro-4-fluorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778476
N-(3-chloro-4-fluorophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-2-carboxamide
CID 109213897
N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 109121742
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1-phenylethyl)pyridazine-3-carboxamide
CID 109118828

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide (CID 109121816) is N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccc(N2CCc3ccccc3C2)nn1.
What is the InChIKey of N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
The InChIKey is CDOOHJAJLKFFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c21-16-6-5-15(11-17(16)22)23-20(27)18-7-8-19(25-24-18)26-10-9-13-3-1-2-4-14(13)12-26/h1-8,11H,9-10,12H2,(H,23,27).
What are the key properties of N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide?
N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).