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

C19H22N4OS — CID 123289038

IUPAC(3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol
SMILESCc1nnc2sc(C(O)NC3CCN(c4ccccc4)C3)cc2c1C
InChIInChI=1S/C19H22N4OS/c1-12-13(2)21-22-19-16(12)10-17(25-19)18(24)20-14-8-9-23(11-14)15-6-4-3-5-7-15/h3-7,10,14,18,20,24H,8-9,11H2,1-2H3
InChIKeyAZGBMOFLGGFJIW-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.17
Rot. Bonds4

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

(3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol (PubChem CID 123289038) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is (3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol.

Molecular Properties

Compound Name(3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol
PubChem CID123289038
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name(3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol
SMILESCc1nnc2sc(C(O)NC3CCN(c4ccccc4)C3)cc2c1C
InChIInChI=1S/C19H22N4OS/c1-12-13(2)21-22-19-16(12)10-17(25-19)18(24)20-14-8-9-23(11-14)15-6-4-3-5-7-15/h3-7,10,14,18,20,24H,8-9,11H2,1-2H3
InChIKeyAZGBMOFLGGFJIW-UHFFFAOYSA-N
XLogP3.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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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
N-[1-[(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-hydroxymethyl]pyrrolidin-3-yl]-3-fluorobenzenesulfonamide
CID 126496363
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]methanol
CID 126496510
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[[1-(4-fluorophenyl)pyrrolidin-3-yl]amino]methanol
CID 126496522
[(1-Pyridin-3-ylazetidin-3-yl)amino]-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol
CID 123252767
(3-Phenylpyrrolidin-1-yl)-(3,4,5-trimethylthieno[2,3-c]pyridazin-6-yl)methanol
CID 123367698
1-[(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-hydroxymethyl]-3-phenylpyrrolidin-3-ol
CID 126496298
1-[4-[[[(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-hydroxymethyl]amino]methyl]phenyl]pyrrolidin-2-one
CID 126496336
(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)-[[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]amino]methanol
CID 126496367

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol?
The IUPAC name of (3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol (CID 123289038) is (3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol.
What is the SMILES notation for (3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol?
The canonical SMILES for (3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol is Cc1nnc2sc(C(O)NC3CCN(c4ccccc4)C3)cc2c1C.
What is the InChIKey of (3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol?
The InChIKey is AZGBMOFLGGFJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-12-13(2)21-22-19-16(12)10-17(25-19)18(24)20-14-8-9-23(11-14)15-6-4-3-5-7-15/h3-7,10,14,18,20,24H,8-9,11H2,1-2H3.
What are the key properties of (3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol?
(3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol has a molecular weight of 354.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[(1-phenylpyrrolidin-3-yl)amino]methanol is sourced from PubChem (CID 123289038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).