1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C23H24N4O4S — CID 41093286

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)ccc21
InChIInChI=1S/C23H24N4O4S/c1-2-26-20-6-4-3-5-17(20)18-13-15(7-9-21(18)26)24-23(29)19-8-10-22(28)27(25-19)16-11-12-32(30,31)14-16/h3-7,9,13,16H,2,8,10-12,14H2,1H3,(H,24,29)/t16-/m1/s1
InChIKeyBIRTUYNYVZWUOP-MRXNPFEDSA-N
MW452.54 g/mol
LogP2.92
Rot. Bonds4

About 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 41093286) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID41093286
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)ccc21
InChIInChI=1S/C23H24N4O4S/c1-2-26-20-6-4-3-5-17(20)18-13-15(7-9-21(18)26)24-23(29)19-8-10-22(28)27(25-19)16-11-12-32(30,31)14-16/h3-7,9,13,16H,2,8,10-12,14H2,1H3,(H,24,29)/t16-/m1/s1
InChIKeyBIRTUYNYVZWUOP-MRXNPFEDSA-N
XLogP2.92
TPSA100.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 41093286) is 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCn1c2ccccc2c2cc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)ccc21.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is BIRTUYNYVZWUOP-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-2-26-20-6-4-3-5-17(20)18-13-15(7-9-21(18)26)24-23(29)19-8-10-22(28)27(25-19)16-11-12-32(30,31)14-16/h3-7,9,13,16H,2,8,10-12,14H2,1H3,(H,24,29)/t16-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(9-ethylcarbazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 41093286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).