(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol

C19H22FN5OS — CID 126496315

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol
SMILESCc1nnc2sc(C(O)N3CC(NCc4ccc(F)cc4)C3)c(N)c2c1C
InChIInChI=1S/C19H22FN5OS/c1-10-11(2)23-24-18-15(10)16(21)17(27-18)19(26)25-8-14(9-25)22-7-12-3-5-13(20)6-4-12/h3-6,14,19,22,26H,7-9,21H2,1-2H3
InChIKeyGKJRVUWVZDJSBX-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.49
Rot. Bonds5

About (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol (PubChem CID 126496315) has the molecular formula C19H22FN5OS and a molecular weight of 387.48 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol
PubChem CID126496315
Molecular FormulaC19H22FN5OS
Molecular Weight387.48 g/mol
Exact Mass387.15
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol
SMILESCc1nnc2sc(C(O)N3CC(NCc4ccc(F)cc4)C3)c(N)c2c1C
InChIInChI=1S/C19H22FN5OS/c1-10-11(2)23-24-18-15(10)16(21)17(27-18)19(26)25-8-14(9-25)22-7-12-3-5-13(20)6-4-12/h3-6,14,19,22,26H,7-9,21H2,1-2H3
InChIKeyGKJRVUWVZDJSBX-UHFFFAOYSA-N
XLogP2.49
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2,4-difluorophenyl)methanol
CID 155542543
[5-Amino-4-methyl-3-(morpholin-4-ylmethyl)thieno[2,3-c]pyridazin-6-yl]-[[4-(trifluoromethylsulfonyl)phenyl]methylamino]methanol
CID 123637800
[3-[[(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-hydroxymethyl]amino]azetidin-1-yl]-(4-fluorophenyl)methanone
CID 123699142
5-amino-N-[2-[[(3-fluorophenyl)-hydroxymethyl]amino]ethyl]-N,3,4-trimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 123981561
(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)-[[4-(difluoromethylsulfonyl)phenyl]methylamino]methanol
CID 126496370
(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)-[[4-(difluoromethylsulfinyl)phenyl]methylamino]methanol
CID 126496393
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-(4-chlorophenyl)-3-fluoroazetidin-1-yl]methanol
CID 126496421
1-[4-[[[(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-hydroxymethyl]amino]methyl]-2-fluorophenyl]pyridin-2-one
CID 126496469
(5-Amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[[1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]methanol
CID 126496510

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol (CID 126496315) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol is Cc1nnc2sc(C(O)N3CC(NCc4ccc(F)cc4)C3)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol?
The InChIKey is GKJRVUWVZDJSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5OS/c1-10-11(2)23-24-18-15(10)16(21)17(27-18)19(26)25-8-14(9-25)22-7-12-3-5-13(20)6-4-12/h3-6,14,19,22,26H,7-9,21H2,1-2H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol has a molecular weight of 387.48 g/mol, XLogP of 2.49, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-[3-[(4-fluorophenyl)methylamino]azetidin-1-yl]methanol is sourced from PubChem (CID 126496315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).