2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

C19H18ClN3O2S — CID 58103194

IUPAC2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(CC2CCOC2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C19H18ClN3O2S/c1-21-19(24)17-18-14(15(22-23-17)8-11-6-7-25-10-11)9-16(26-18)12-2-4-13(20)5-3-12/h2-5,9,11H,6-8,10H2,1H3,(H,21,24)
InChIKeyYMRLHDYXVWVLDI-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.95
Rot. Bonds4

About 2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide

2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 58103194) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID58103194
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(CC2CCOC2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C19H18ClN3O2S/c1-21-19(24)17-18-14(15(22-23-17)8-11-6-7-25-10-11)9-16(26-18)12-2-4-13(20)5-3-12/h2-5,9,11H,6-8,10H2,1H3,(H,21,24)
InChIKeyYMRLHDYXVWVLDI-UHFFFAOYSA-N
XLogP3.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 58103194) is 2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is CNC(=O)c1nnc(CC2CCOC2)c2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is YMRLHDYXVWVLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c1-21-19(24)17-18-14(15(22-23-17)8-11-6-7-25-10-11)9-16(26-18)12-2-4-13(20)5-3-12/h2-5,9,11H,6-8,10H2,1H3,(H,21,24).
What are the key properties of 2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 387.89 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-4-(oxolan-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 58103194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).