N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine

C26H18N8OS — CID 66732027

IUPACN-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine
SMILESNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4ccsc34)cn2)n1
InChIInChI=1S/C26H18N8OS/c27-26-29-13-10-20(32-26)18-7-4-12-28-25(18)35-21-9-8-17(15-30-21)31-24-23-19(11-14-36-23)22(33-34-24)16-5-2-1-3-6-16/h1-15H,(H,31,34)(H2,27,29,32)
InChIKeyLCFBOVIVZAXDSU-UHFFFAOYSA-N
MW490.55 g/mol
LogP5.72
Rot. Bonds6

About N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine

N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine (PubChem CID 66732027) has the molecular formula C26H18N8OS and a molecular weight of 490.55 g/mol. Its IUPAC name is N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine.

Molecular Properties

Compound NameN-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine
PubChem CID66732027
Molecular FormulaC26H18N8OS
Molecular Weight490.55 g/mol
Exact Mass490.13
IUPAC NameN-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine
SMILESNc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4ccsc34)cn2)n1
InChIInChI=1S/C26H18N8OS/c27-26-29-13-10-20(32-26)18-7-4-12-28-25(18)35-21-9-8-17(15-30-21)31-24-23-19(11-14-36-23)22(33-34-24)16-5-2-1-3-6-16/h1-15H,(H,31,34)(H2,27,29,32)
InChIKeyLCFBOVIVZAXDSU-UHFFFAOYSA-N
XLogP5.72
TPSA124.62 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.55
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine?
The IUPAC name of N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine (CID 66732027) is N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine.
What is the SMILES notation for N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine?
The canonical SMILES for N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine is Nc1nccc(-c2cccnc2Oc2ccc(Nc3nnc(-c4ccccc4)c4ccsc34)cn2)n1.
What is the InChIKey of N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine?
The InChIKey is LCFBOVIVZAXDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N8OS/c27-26-29-13-10-20(32-26)18-7-4-12-28-25(18)35-21-9-8-17(15-30-21)31-24-23-19(11-14-36-23)22(33-34-24)16-5-2-1-3-6-16/h1-15H,(H,31,34)(H2,27,29,32).
What are the key properties of N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine?
N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine has a molecular weight of 490.55 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[3-(2-aminopyrimidin-4-yl)-2-pyridinyl]oxy]-3-pyridinyl]-4-phenylthieno[2,3-d]pyridazin-7-amine is sourced from PubChem (CID 66732027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).