2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one

C23H23N5O2S — CID 11661999

IUPAC2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one
SMILESCN[C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(OC)cc5)sc4c3=O)cn2)C1
InChIInChI=1S/C23H23N5O2S/c1-24-17-9-10-27(14-17)21-8-5-18(13-25-21)28-23(29)22-16(12-26-28)11-20(31-22)15-3-6-19(30-2)7-4-15/h3-8,11-13,17,24H,9-10,14H2,1-2H3/t17-/m1/s1
InChIKeyAMJSRKIPZBGEJM-QGZVFWFLSA-N
MW433.54 g/mol
LogP3.32
Rot. Bonds5

About 2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one

2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one (PubChem CID 11661999) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one
PubChem CID11661999
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one
SMILESCN[C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(OC)cc5)sc4c3=O)cn2)C1
InChIInChI=1S/C23H23N5O2S/c1-24-17-9-10-27(14-17)21-8-5-18(13-25-21)28-23(29)22-16(12-26-28)11-20(31-22)15-3-6-19(30-2)7-4-15/h3-8,11-13,17,24H,9-10,14H2,1-2H3/t17-/m1/s1
InChIKeyAMJSRKIPZBGEJM-QGZVFWFLSA-N
XLogP3.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one?
The IUPAC name of 2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one (CID 11661999) is 2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one?
The canonical SMILES for 2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one is CN[C@@H]1CCN(c2ccc(-n3ncc4cc(-c5ccc(OC)cc5)sc4c3=O)cn2)C1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one?
The InChIKey is AMJSRKIPZBGEJM-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-24-17-9-10-27(14-17)21-8-5-18(13-25-21)28-23(29)22-16(12-26-28)11-20(31-22)15-3-6-19(30-2)7-4-15/h3-8,11-13,17,24H,9-10,14H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one?
2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one has a molecular weight of 433.54 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-[6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-d]pyridazin-7-one is sourced from PubChem (CID 11661999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).