N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide

C24H21N3O2S — CID 68712789

IUPACN-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide
SMILESCOc1ccccc1-c1nncc2cc(-c3cc(C(=O)NC4CC4)ccc3C)sc12
InChIInChI=1S/C24H21N3O2S/c1-14-7-8-15(24(28)26-17-9-10-17)11-19(14)21-12-16-13-25-27-22(23(16)30-21)18-5-3-4-6-20(18)29-2/h3-8,11-13,17H,9-10H2,1-2H3,(H,26,28)
InChIKeyAZNJBFUXJJECDJ-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.23
Rot. Bonds5

About N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide

N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide (PubChem CID 68712789) has the molecular formula C24H21N3O2S and a molecular weight of 415.52 g/mol. Its IUPAC name is N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide
PubChem CID68712789
Molecular FormulaC24H21N3O2S
Molecular Weight415.52 g/mol
Exact Mass415.14
IUPAC NameN-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide
SMILESCOc1ccccc1-c1nncc2cc(-c3cc(C(=O)NC4CC4)ccc3C)sc12
InChIInChI=1S/C24H21N3O2S/c1-14-7-8-15(24(28)26-17-9-10-17)11-19(14)21-12-16-13-25-27-22(23(16)30-21)18-5-3-4-6-20(18)29-2/h3-8,11-13,17H,9-10H2,1-2H3,(H,26,28)
InChIKeyAZNJBFUXJJECDJ-UHFFFAOYSA-N
XLogP5.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-[7-(2,4-difluorophenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide
CID 25016855
N-cyclopropyl-4-methyl-3-[7-[(3S)-3-methylmorpholin-4-yl]thieno[2,3-d]pyridazin-2-yl]benzamide
CID 68559854
3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848510
N-cyclopropyl-3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzamide
CID 55897484
N-cyclopropyl-3-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide
CID 46387034
3-(2-aminoquinazolin-6-yl)-N-cyclopropyl-4-methoxybenzamide
CID 58829959
N-[6-(2-methoxyphenyl)-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492136
N-cyclopropyl-3-[7-(5-hydroxy-2-methoxyphenyl)-2-(propan-2-ylamino)quinazolin-6-yl]-4-methylbenzamide
CID 24896349
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
3-[1-[2,4-bis(trifluoromethyl)phenyl]phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848989
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
5-(5-carbamoyl-2-methylphenyl)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 59761393

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide (CID 68712789) is N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide is COc1ccccc1-c1nncc2cc(-c3cc(C(=O)NC4CC4)ccc3C)sc12.
What is the InChIKey of N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide?
The InChIKey is AZNJBFUXJJECDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2S/c1-14-7-8-15(24(28)26-17-9-10-17)11-19(14)21-12-16-13-25-27-22(23(16)30-21)18-5-3-4-6-20(18)29-2/h3-8,11-13,17H,9-10H2,1-2H3,(H,26,28).
What are the key properties of N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide?
N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide has a molecular weight of 415.52 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[7-(2-methoxyphenyl)thieno[2,3-d]pyridazin-2-yl]-4-methylbenzamide is sourced from PubChem (CID 68712789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).