(3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol

C20H23N3OS — CID 123367698

IUPAC(3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol
SMILESCc1nnc2sc(C(O)N3CCC(c4ccccc4)C3)c(C)c2c1C
InChIInChI=1S/C20H23N3OS/c1-12-14(3)21-22-19-17(12)13(2)18(25-19)20(24)23-10-9-16(11-23)15-7-5-4-6-8-15/h4-8,16,20,24H,9-11H2,1-3H3
InChIKeyMXMNNRHBZZNIOU-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.10
Rot. Bonds3

About (3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol

(3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol (PubChem CID 123367698) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is (3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol.

Molecular Properties

Compound Name(3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol
PubChem CID123367698
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name(3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol
SMILESCc1nnc2sc(C(O)N3CCC(c4ccccc4)C3)c(C)c2c1C
InChIInChI=1S/C20H23N3OS/c1-12-14(3)21-22-19-17(12)13(2)18(25-19)20(24)23-10-9-16(11-23)15-7-5-4-6-8-15/h4-8,16,20,24H,9-11H2,1-3H3
InChIKeyMXMNNRHBZZNIOU-UHFFFAOYSA-N
XLogP4.10
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-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)-phenylmethanol
CID 155552902
(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
(3,4-Dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol
CID 123289038
(5-Cyclopropyl-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylazetidin-1-yl)methanol
CID 123628678
(1-Amino-6,7,8,9-tetrahydrothieno[2,3-c]cinnolin-2-yl)-(benzylamino)methanol
CID 123874284
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)-[(2R)-2-methylpyrrolidin-1-yl]methanol
CID 126496374
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(3-phenylpiperidin-1-yl)methanol
CID 126496377

Frequently Asked Questions

What is the IUPAC name of (3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol?
The IUPAC name of (3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol (CID 123367698) is (3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol.
What is the SMILES notation for (3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol?
The canonical SMILES for (3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol is Cc1nnc2sc(C(O)N3CCC(c4ccccc4)C3)c(C)c2c1C.
What is the InChIKey of (3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol?
The InChIKey is MXMNNRHBZZNIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-12-14(3)21-22-19-17(12)13(2)18(25-19)20(24)23-10-9-16(11-23)15-7-5-4-6-8-15/h4-8,16,20,24H,9-11H2,1-3H3.
What are the key properties of (3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol?
(3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol has a molecular weight of 353.49 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol is sourced from PubChem (CID 123367698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).