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

C19H19ClN4OS — CID 58103176

IUPAC2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(CC2CCNC2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C19H19ClN4OS/c1-21-19(25)17-18-14(15(23-24-17)8-11-6-7-22-10-11)9-16(26-18)12-2-4-13(20)5-3-12/h2-5,9,11,22H,6-8,10H2,1H3,(H,21,25)
InChIKeyZLCZYAICKLHVDD-UHFFFAOYSA-N
MW386.91 g/mol
LogP3.52
Rot. Bonds4

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

2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 58103176) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID58103176
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESCNC(=O)c1nnc(CC2CCNC2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C19H19ClN4OS/c1-21-19(25)17-18-14(15(23-24-17)8-11-6-7-22-10-11)9-16(26-18)12-2-4-13(20)5-3-12/h2-5,9,11,22H,6-8,10H2,1H3,(H,21,25)
InChIKeyZLCZYAICKLHVDD-UHFFFAOYSA-N
XLogP3.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 58103176) is 2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is CNC(=O)c1nnc(CC2CCNC2)c2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is ZLCZYAICKLHVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-21-19(25)17-18-14(15(23-24-17)8-11-6-7-22-10-11)9-16(26-18)12-2-4-13(20)5-3-12/h2-5,9,11,22H,6-8,10H2,1H3,(H,21,25).
What are the key properties of 2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide?
2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 386.91 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-methyl-4-(pyrrolidin-3-ylmethyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 58103176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).