N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

C16H19N5O2S — CID 52899938

IUPACN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCn1nc2c(c1NC(=O)Cn1nc3c(cc1=O)CCCC3)CSC2
InChIInChI=1S/C16H19N5O2S/c1-20-16(11-8-24-9-13(11)18-20)17-14(22)7-21-15(23)6-10-4-2-3-5-12(10)19-21/h6H,2-5,7-9H2,1H3,(H,17,22)
InChIKeySBZBNCTWBBLKRU-UHFFFAOYSA-N
MW345.43 g/mol
LogP1.24
Rot. Bonds3

About N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide

N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (PubChem CID 52899938) has the molecular formula C16H19N5O2S and a molecular weight of 345.43 g/mol. Its IUPAC name is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
PubChem CID52899938
Molecular FormulaC16H19N5O2S
Molecular Weight345.43 g/mol
Exact Mass345.13
IUPAC NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
SMILESCn1nc2c(c1NC(=O)Cn1nc3c(cc1=O)CCCC3)CSC2
InChIInChI=1S/C16H19N5O2S/c1-20-16(11-8-24-9-13(11)18-20)17-14(22)7-21-15(23)6-10-4-2-3-5-12(10)19-21/h6H,2-5,7-9H2,1H3,(H,17,22)
InChIKeySBZBNCTWBBLKRU-UHFFFAOYSA-N
XLogP1.24
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide (CID 52899938) is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide.
What is the SMILES notation for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The canonical SMILES for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is Cn1nc2c(c1NC(=O)Cn1nc3c(cc1=O)CCCC3)CSC2.
What is the InChIKey of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
The InChIKey is SBZBNCTWBBLKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2S/c1-20-16(11-8-24-9-13(11)18-20)17-14(22)7-21-15(23)6-10-4-2-3-5-12(10)19-21/h6H,2-5,7-9H2,1H3,(H,17,22).
What are the key properties of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide?
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide has a molecular weight of 345.43 g/mol, XLogP of 1.24, 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-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide is sourced from PubChem (CID 52899938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).