4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide

C19H19N7OS — CID 118320645

IUPAC4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide
SMILESCCn1cc(Nc2cc(NCc3cccc4ccsc34)c(C(N)=O)nn2)cn1
InChIInChI=1S/C19H19N7OS/c1-2-26-11-14(10-22-26)23-16-8-15(17(19(20)27)25-24-16)21-9-13-5-3-4-12-6-7-28-18(12)13/h3-8,10-11H,2,9H2,1H3,(H2,20,27)(H2,21,23,24)
InChIKeySOHCUVUWRJALKE-UHFFFAOYSA-N
MW393.48 g/mol
LogP3.36
Rot. Bonds7

About 4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide

4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide (PubChem CID 118320645) has the molecular formula C19H19N7OS and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide
PubChem CID118320645
Molecular FormulaC19H19N7OS
Molecular Weight393.48 g/mol
Exact Mass393.14
IUPAC Name4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide
SMILESCCn1cc(Nc2cc(NCc3cccc4ccsc34)c(C(N)=O)nn2)cn1
InChIInChI=1S/C19H19N7OS/c1-2-26-11-14(10-22-26)23-16-8-15(17(19(20)27)25-24-16)21-9-13-5-3-4-12-6-7-28-18(12)13/h3-8,10-11H,2,9H2,1H3,(H2,20,27)(H2,21,23,24)
InChIKeySOHCUVUWRJALKE-UHFFFAOYSA-N
XLogP3.36
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of 4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide (CID 118320645) is 4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide is CCn1cc(Nc2cc(NCc3cccc4ccsc34)c(C(N)=O)nn2)cn1.
What is the InChIKey of 4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide?
The InChIKey is SOHCUVUWRJALKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7OS/c1-2-26-11-14(10-22-26)23-16-8-15(17(19(20)27)25-24-16)21-9-13-5-3-4-12-6-7-28-18(12)13/h3-8,10-11H,2,9H2,1H3,(H2,20,27)(H2,21,23,24).
What are the key properties of 4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide?
4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide has a molecular weight of 393.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-7-ylmethylamino)-6-[(1-ethylpyrazol-4-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 118320645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).