(5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol

C21H23N3OS — CID 123628678

IUPAC(5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol
SMILESCc1nnc2sc(C(O)N3CC(c4ccccc4)C3)c(C3CC3)c2c1C
InChIInChI=1S/C21H23N3OS/c1-12-13(2)22-23-20-17(12)18(15-8-9-15)19(26-20)21(25)24-10-16(11-24)14-6-4-3-5-7-14/h3-7,15-16,21,25H,8-11H2,1-2H3
InChIKeyAKCDQFBJSXGWPM-UHFFFAOYSA-N
MW365.50 g/mol
LogP4.28
Rot. Bonds4

About (5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol

(5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol (PubChem CID 123628678) has the molecular formula C21H23N3OS and a molecular weight of 365.50 g/mol. Its IUPAC name is (5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol.

Molecular Properties

Compound Name(5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol
PubChem CID123628678
Molecular FormulaC21H23N3OS
Molecular Weight365.50 g/mol
Exact Mass365.16
IUPAC Name(5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol
SMILESCc1nnc2sc(C(O)N3CC(c4ccccc4)C3)c(C3CC3)c2c1C
InChIInChI=1S/C21H23N3OS/c1-12-13(2)22-23-20-17(12)18(15-8-9-15)19(26-20)21(25)24-10-16(11-24)14-6-4-3-5-7-14/h3-7,15-16,21,25H,8-11H2,1-2H3
InChIKeyAKCDQFBJSXGWPM-UHFFFAOYSA-N
XLogP4.28
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol 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

(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol
CID 126496315
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(2,3-difluorophenyl)methylamino]methanol
CID 126496322
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-fluoro-3-(3-fluorophenyl)azetidin-1-yl]methanol
CID 126496376
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-chlorophenyl)-3-fluoroazetidin-1-yl]methanol
CID 126496421
(3-Phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol
CID 123367698
(Cyclopropylamino)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol
CID 123504290
1-[(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-hydroxymethyl]-3-phenylpyrrolidin-3-ol
CID 126496298
1-[(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-hydroxymethyl]-3-phenylazetidin-3-ol
CID 126496330
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol
CID 126496354
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(1,3-dihydroisoindol-2-yl)methanol
CID 126496365
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanol
CID 126496377
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(4-ethylphenyl)methylamino]methanol
CID 126496544

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol?
The IUPAC name of (5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol (CID 123628678) is (5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol.
What is the SMILES notation for (5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol?
The canonical SMILES for (5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol is Cc1nnc2sc(C(O)N3CC(c4ccccc4)C3)c(C3CC3)c2c1C.
What is the InChIKey of (5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol?
The InChIKey is AKCDQFBJSXGWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS/c1-12-13(2)22-23-20-17(12)18(15-8-9-15)19(26-20)21(25)24-10-16(11-24)14-6-4-3-5-7-14/h3-7,15-16,21,25H,8-11H2,1-2H3.
What are the key properties of (5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol?
(5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol has a molecular weight of 365.50 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol is sourced from PubChem (CID 123628678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).