1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide

C98H105N21O6S3 — CID 159935500

IUPAC1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide
SMILESCCC(=O)Cc1ccc(CC2CC(c3cnc(NC(=O)Cc4ccccn4)s3)C2)nn1.CCNc1ncc(C2CC(Cc3ccc(CC(=O)Cc4ccccc4)nn3)C2)s1.CCNc1ncc(C2CC(Cc3ccc(CC(=O)Cc4ccccn4)nn3)C2)s1.O=C(Cc1ccccn1)Cc1ccc(C2CC3(C2)CC(c2ccc(NC(=O)Cc4ccccn4)nn2)C3)nn1
InChIInChI=1S/C30H29N7O2.C23H25N5O2S.C23H26N4OS.C22H25N5OS/c38-25(13-22-5-1-3-11-31-22)14-24-7-8-26(35-34-24)20-16-30(17-20)18-21(19-30)27-9-10-28(37-36-27)33-29(39)15-23-6-2-4-12-32-23;1-2-20(29)12-19-7-6-18(27-28-19)11-15-9-16(10-15)21-14-25-23(31-21)26-22(30)13-17-5-3-4-8-24-17;1-2-24-23-25-15-22(29-23)18-10-17(11-18)12-19-8-9-20(27-26-19)14-21(28)13-16-6-4-3-5-7-16;1-2-23-22-25-14-21(29-22)16-9-15(10-16)11-18-6-7-19(27-26-18)13-20(28)12-17-5-3-4-8-24-17/h1-12,20-21H,13-19H2,(H,33,37,39);3-8,14-16H,2,9-13H2,1H3,(H,25,26,30);3-9,15,17-18H,2,10-14H2,1H3,(H,24,25);3-8,14-16H,2,9-13H2,1H3,(H,23,25)
InChIKeyOAESYUNWCRWXGI-UHFFFAOYSA-N
MW1769.26 g/mol
LogP16.11
Rot. Bonds36

About 1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide

1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide (PubChem CID 159935500) has the molecular formula C98H105N21O6S3 and a molecular weight of 1769.26 g/mol. Its IUPAC name is 1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide
PubChem CID159935500
Molecular FormulaC98H105N21O6S3
Molecular Weight1769.26 g/mol
Exact Mass1767.77
IUPAC Name1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide
SMILESCCC(=O)Cc1ccc(CC2CC(c3cnc(NC(=O)Cc4ccccn4)s3)C2)nn1.CCNc1ncc(C2CC(Cc3ccc(CC(=O)Cc4ccccc4)nn3)C2)s1.CCNc1ncc(C2CC(Cc3ccc(CC(=O)Cc4ccccn4)nn3)C2)s1.O=C(Cc1ccccn1)Cc1ccc(C2CC3(C2)CC(c2ccc(NC(=O)Cc4ccccn4)nn2)C3)nn1
InChIInChI=1S/C30H29N7O2.C23H25N5O2S.C23H26N4OS.C22H25N5OS/c38-25(13-22-5-1-3-11-31-22)14-24-7-8-26(35-34-24)20-16-30(17-20)18-21(19-30)27-9-10-28(37-36-27)33-29(39)15-23-6-2-4-12-32-23;1-2-20(29)12-19-7-6-18(27-28-19)11-15-9-16(10-15)21-14-25-23(31-21)26-22(30)13-17-5-3-4-8-24-17;1-2-24-23-25-15-22(29-23)18-10-17(11-18)12-19-8-9-20(27-26-19)14-21(28)13-16-6-4-3-5-7-16;1-2-23-22-25-14-21(29-22)16-9-15(10-16)11-18-6-7-19(27-26-18)13-20(28)12-17-5-3-4-8-24-17/h1-12,20-21H,13-19H2,(H,33,37,39);3-8,14-16H,2,9-13H2,1H3,(H,25,26,30);3-9,15,17-18H,2,10-14H2,1H3,(H,24,25);3-8,14-16H,2,9-13H2,1H3,(H,23,25)
InChIKeyOAESYUNWCRWXGI-UHFFFAOYSA-N
XLogP16.11
TPSA369.67 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds36
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001769.26
LogP ≤ 516.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze 1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide?
The IUPAC name of 1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide (CID 159935500) is 1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for 1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide?
The canonical SMILES for 1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide is CCC(=O)Cc1ccc(CC2CC(c3cnc(NC(=O)Cc4ccccn4)s3)C2)nn1.CCNc1ncc(C2CC(Cc3ccc(CC(=O)Cc4ccccc4)nn3)C2)s1.CCNc1ncc(C2CC(Cc3ccc(CC(=O)Cc4ccccn4)nn3)C2)s1.O=C(Cc1ccccn1)Cc1ccc(C2CC3(C2)CC(c2ccc(NC(=O)Cc4ccccn4)nn2)C3)nn1.
What is the InChIKey of 1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide?
The InChIKey is OAESYUNWCRWXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N7O2.C23H25N5O2S.C23H26N4OS.C22H25N5OS/c38-25(13-22-5-1-3-11-31-22)14-24-7-8-26(35-34-24)20-16-30(17-20)18-21(19-30)27-9-10-28(37-36-27)33-29(39)15-23-6-2-4-12-32-23;1-2-20(29)12-19-7-6-18(27-28-19)11-15-9-16(10-15)21-14-25-23(31-21)26-22(30)13-17-5-3-4-8-24-17;1-2-24-23-25-15-22(29-23)18-10-17(11-18)12-19-8-9-20(27-26-19)14-21(28)13-16-6-4-3-5-7-16;1-2-23-22-25-14-21(29-22)16-9-15(10-16)11-18-6-7-19(27-26-18)13-20(28)12-17-5-3-4-8-24-17/h1-12,20-21H,13-19H2,(H,33,37,39);3-8,14-16H,2,9-13H2,1H3,(H,25,26,30);3-9,15,17-18H,2,10-14H2,1H3,(H,24,25);3-8,14-16H,2,9-13H2,1H3,(H,23,25).
What are the key properties of 1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide?
1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide has a molecular weight of 1769.26 g/mol, XLogP of 16.11, 36 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-phenylpropan-2-one;1-[6-[[3-[2-(ethylamino)-1,3-thiazol-5-yl]cyclobutyl]methyl]pyridazin-3-yl]-3-pyridin-2-ylpropan-2-one;N-[5-[3-[[6-(2-oxobutyl)pyridazin-3-yl]methyl]cyclobutyl]-1,3-thiazol-2-yl]-2-pyridin-2-ylacetamide;N-[6-[6-[6-(2-oxo-3-pyridin-2-ylpropyl)pyridazin-3-yl]spiro[3.3]heptan-2-yl]pyridazin-3-yl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 159935500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).