6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide

C15H14ClN7OS — CID 133340858

IUPAC6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C15H14ClN7OS/c16-11-7-9(13(17)24)14(21-20-11)22-2-4-23(5-3-22)15-12-10(1-6-25-12)18-8-19-15/h1,6-8H,2-5H2,(H2,17,24)
InChIKeyGUXBZAYHFQXGAJ-UHFFFAOYSA-N
MW375.85 g/mol
LogP1.56
Rot. Bonds3

About 6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide

6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide (PubChem CID 133340858) has the molecular formula C15H14ClN7OS and a molecular weight of 375.85 g/mol. Its IUPAC name is 6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide
PubChem CID133340858
Molecular FormulaC15H14ClN7OS
Molecular Weight375.85 g/mol
Exact Mass375.07
IUPAC Name6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1N1CCN(c2ncnc3ccsc23)CC1
InChIInChI=1S/C15H14ClN7OS/c16-11-7-9(13(17)24)14(21-20-11)22-2-4-23(5-3-22)15-12-10(1-6-25-12)18-8-19-15/h1,6-8H,2-5H2,(H2,17,24)
InChIKeyGUXBZAYHFQXGAJ-UHFFFAOYSA-N
XLogP1.56
TPSA101.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one
CID 110873227
4-[4-(2-chloroethyl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 63392635
2-ethyl-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)butan-1-one
CID 110873231
N-methyl-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 47130003
(5-chloro-2-methylpyrimidin-4-yl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 136528007
1-adamantyl-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 51301531
7-amino-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)heptan-1-one;dihydrochloride
CID 119884627
N-[(2R)-butan-2-yl]-2-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 36731447
2-(4-aminopiperidin-1-yl)-1-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 75496003
2-(6-hydroxy-4-thieno[3,2-d]pyrimidin-4-yl-1,4-diazepan-1-yl)acetic acid
CID 74232473
2-(4-thieno[3,2-b]pyridin-7-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 71978017
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119884643

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide (CID 133340858) is 6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide is NC(=O)c1cc(Cl)nnc1N1CCN(c2ncnc3ccsc23)CC1.
What is the InChIKey of 6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide?
The InChIKey is GUXBZAYHFQXGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN7OS/c16-11-7-9(13(17)24)14(21-20-11)22-2-4-23(5-3-22)15-12-10(1-6-25-12)18-8-19-15/h1,6-8H,2-5H2,(H2,17,24).
What are the key properties of 6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide?
6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide has a molecular weight of 375.85 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyridazine-4-carboxamide is sourced from PubChem (CID 133340858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).