2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide

C18H17ClN4O2S — CID 122662388

IUPAC2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(OC2CCCNC2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C18H17ClN4O2S/c19-11-5-3-10(4-6-11)14-8-13-16(26-14)15(17(20)24)22-23-18(13)25-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,20,24)
InChIKeyNXGAWAJBFVSQMS-UHFFFAOYSA-N
MW388.88 g/mol
LogP3.24
Rot. Bonds4

About 2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide

2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 122662388) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide
PubChem CID122662388
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC Name2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(OC2CCCNC2)c2cc(-c3ccc(Cl)cc3)sc12
InChIInChI=1S/C18H17ClN4O2S/c19-11-5-3-10(4-6-11)14-8-13-16(26-14)15(17(20)24)22-23-18(13)25-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,20,24)
InChIKeyNXGAWAJBFVSQMS-UHFFFAOYSA-N
XLogP3.24
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide (CID 122662388) is 2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(OC2CCCNC2)c2cc(-c3ccc(Cl)cc3)sc12.
What is the InChIKey of 2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is NXGAWAJBFVSQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c19-11-5-3-10(4-6-11)14-8-13-16(26-14)15(17(20)24)22-23-18(13)25-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,20,24).
What are the key properties of 2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide?
2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 388.88 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-piperidin-3-yloxythieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 122662388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).