N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

C17H21N5O2S — CID 52897692

IUPACN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESCn1nc2c(c1NC(=O)Cn1nc3c(cc1=O)CCCCC3)CSC2
InChIInChI=1S/C17H21N5O2S/c1-21-17(12-9-25-10-14(12)19-21)18-15(23)8-22-16(24)7-11-5-3-2-4-6-13(11)20-22/h7H,2-6,8-10H2,1H3,(H,18,23)
InChIKeyFMWNRZIOZPTFON-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.63
Rot. Bonds3

About N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide

N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (PubChem CID 52897692) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
PubChem CID52897692
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
SMILESCn1nc2c(c1NC(=O)Cn1nc3c(cc1=O)CCCCC3)CSC2
InChIInChI=1S/C17H21N5O2S/c1-21-17(12-9-25-10-14(12)19-21)18-15(23)8-22-16(24)7-11-5-3-2-4-6-13(11)20-22/h7H,2-6,8-10H2,1H3,(H,18,23)
InChIKeyFMWNRZIOZPTFON-UHFFFAOYSA-N
XLogP1.63
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide (CID 52897692) is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is Cn1nc2c(c1NC(=O)Cn1nc3c(cc1=O)CCCCC3)CSC2.
What is the InChIKey of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
The InChIKey is FMWNRZIOZPTFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-21-17(12-9-25-10-14(12)19-21)18-15(23)8-22-16(24)7-11-5-3-2-4-6-13(11)20-22/h7H,2-6,8-10H2,1H3,(H,18,23).
What are the key properties of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide?
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide has a molecular weight of 359.46 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 52897692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).