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

C20H24N4OS — CID 126496354

IUPAC(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol
SMILESCc1nnc2sc(C(O)N3CCC(c4ccccc4)C3C)c(N)c2c1C
InChIInChI=1S/C20H24N4OS/c1-11-12(2)22-23-19-16(11)17(21)18(26-19)20(25)24-10-9-15(13(24)3)14-7-5-4-6-8-14/h4-8,13,15,20,25H,9-10,21H2,1-3H3
InChIKeyWHMWPAMHSHOSCH-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.76
Rot. Bonds3

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

(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol (PubChem CID 126496354) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol.

Molecular Properties

Compound Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol
PubChem CID126496354
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol
SMILESCc1nnc2sc(C(O)N3CCC(c4ccccc4)C3C)c(N)c2c1C
InChIInChI=1S/C20H24N4OS/c1-11-12(2)22-23-19-16(11)17(21)18(26-19)20(25)24-10-9-15(13(24)3)14-7-5-4-6-8-14/h4-8,13,15,20,25H,9-10,21H2,1-3H3
InChIKeyWHMWPAMHSHOSCH-UHFFFAOYSA-N
XLogP3.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol?
The IUPAC name of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol (CID 126496354) is (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol.
What is the SMILES notation for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol?
The canonical SMILES for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol is Cc1nnc2sc(C(O)N3CCC(c4ccccc4)C3C)c(N)c2c1C.
What is the InChIKey of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol?
The InChIKey is WHMWPAMHSHOSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-11-12(2)22-23-19-16(11)17(21)18(26-19)20(25)24-10-9-15(13(24)3)14-7-5-4-6-8-14/h4-8,13,15,20,25H,9-10,21H2,1-3H3.
What are the key properties of (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol?
(5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol has a molecular weight of 368.51 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dimethylthieno[2,3-c]pyridazin-6-yl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanol is sourced from PubChem (CID 126496354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).