4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide

C21H19N3OS — CID 159036352

IUPAC4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(CC2=CCC=C2)c2cc(-c3ccc(C)cc3)sc12
InChIInChI=1S/C21H19N3OS/c1-13-7-9-15(10-8-13)18-12-16-17(11-14-5-3-4-6-14)23-24-19(20(16)26-18)21(25)22-2/h3,5-10,12H,4,11H2,1-2H3,(H,22,25)
InChIKeyAHTUTOLYDADGSH-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.46
Rot. Bonds4

About 4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide

4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 159036352) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is 4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID159036352
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC Name4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(CC2=CCC=C2)c2cc(-c3ccc(C)cc3)sc12
InChIInChI=1S/C21H19N3OS/c1-13-7-9-15(10-8-13)18-12-16-17(11-14-5-3-4-6-14)23-24-19(20(16)26-18)21(25)22-2/h3,5-10,12H,4,11H2,1-2H3,(H,22,25)
InChIKeyAHTUTOLYDADGSH-UHFFFAOYSA-N
XLogP4.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide with MolForge

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Related Compounds

tris(4-(cyclopenta-1,4-dien-1-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(4-(furan-3-ylmethyl)-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide)
CID 157054843
4-(furan-3-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 71053417
tris(2-(4-methylphenyl)-4-(2H-thiopyran-5-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide);bis(2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide)
CID 159741450
2-(4-methylphenyl)-4-(4H-pyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 71053408
N,N-dimethyl-2-(4-methylphenyl)-4-(4H-thiopyran-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 71053420
2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 58103194
2-(4-chlorophenyl)-N-methyl-4-(1H-pyrrol-3-ylamino)thieno[2,3-d]pyridazine-7-carboxamide
CID 51034772
2-(4-chlorophenyl)-4-(furan-3-ylamino)-N-methylthieno[2,3-d]pyridazine-7-carboxamide
CID 51034977
azane;2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;ethyl 2-(4-chlorophenyl)-4-(cyclohexylmethyl)thieno[2,3-d]pyridazine-7-carboxylate;hydrate
CID 161097172
4-(cyclohexylmethyl)-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
CID 58103172
2-(4-chlorophenyl)-4-(piperidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide;methanamine
CID 143836312
ethyl 4-chloro-2-(4-chlorophenyl)thieno[2,3-d]pyridazine-7-carboxylate;methylidenecyclohexane
CID 123201108

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 159036352) is 4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide is CNC(=O)c1nnc(CC2=CCC=C2)c2cc(-c3ccc(C)cc3)sc12.
What is the InChIKey of 4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is AHTUTOLYDADGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-13-7-9-15(10-8-13)18-12-16-17(11-14-5-3-4-6-14)23-24-19(20(16)26-18)21(25)22-2/h3,5-10,12H,4,11H2,1-2H3,(H,22,25).
What are the key properties of 4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide?
4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenta-1,4-dien-1-ylmethyl)-N-methyl-2-(4-methylphenyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 159036352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).