1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C15H19N5O4S2 — CID 95391741

IUPAC1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCn1nc2c(c1NC(=O)C1=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC1)CSC2
InChIInChI=1S/C15H19N5O4S2/c1-19-14(10-6-25-7-12(10)17-19)16-15(22)11-2-3-13(21)20(18-11)9-4-5-26(23,24)8-9/h9H,2-8H2,1H3,(H,16,22)/t9-/m1/s1
InChIKeyRAQVWZCTDNTWFW-SECBINFHSA-N
MW397.48 g/mol
LogP0.27
Rot. Bonds3

About 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 95391741) has the molecular formula C15H19N5O4S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID95391741
Molecular FormulaC15H19N5O4S2
Molecular Weight397.48 g/mol
Exact Mass397.09
IUPAC Name1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCn1nc2c(c1NC(=O)C1=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC1)CSC2
InChIInChI=1S/C15H19N5O4S2/c1-19-14(10-6-25-7-12(10)17-19)16-15(22)11-2-3-13(21)20(18-11)9-4-5-26(23,24)8-9/h9H,2-8H2,1H3,(H,16,22)/t9-/m1/s1
InChIKeyRAQVWZCTDNTWFW-SECBINFHSA-N
XLogP0.27
TPSA113.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 95391741) is 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cn1nc2c(c1NC(=O)C1=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC1)CSC2.
What is the InChIKey of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is RAQVWZCTDNTWFW-SECBINFHSA-N. The full InChI is InChI=1S/C15H19N5O4S2/c1-19-14(10-6-25-7-12(10)17-19)16-15(22)11-2-3-13(21)20(18-11)9-4-5-26(23,24)8-9/h9H,2-8H2,1H3,(H,16,22)/t9-/m1/s1.
What are the key properties of 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 95391741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).