N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

C19H19N3OS — CID 20948601

IUPACN-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C)c3c2CCc2sccc2-3)c(C)c1
InChIInChI=1S/C19H19N3OS/c1-11-4-6-15(12(2)10-11)20-19(23)17-14-5-7-16-13(8-9-24-16)18(14)22(3)21-17/h4,6,8-10H,5,7H2,1-3H3,(H,20,23)
InChIKeyFDICLTXNSCUSTN-UHFFFAOYSA-N
MW337.45 g/mol
LogP4.12
Rot. Bonds2

About N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (PubChem CID 20948601) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
PubChem CID20948601
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC NameN-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2nn(C)c3c2CCc2sccc2-3)c(C)c1
InChIInChI=1S/C19H19N3OS/c1-11-4-6-15(12(2)10-11)20-19(23)17-14-5-7-16-13(8-9-24-16)18(14)22(3)21-17/h4,6,8-10H,5,7H2,1-3H3,(H,20,23)
InChIKeyFDICLTXNSCUSTN-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948598
N-(2,4-dimethylphenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389070
N-cycloheptyl-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 20948522
1-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 93068839
1-methyl-N-(3-morpholin-4-ylpropyl)-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 46340969
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
N-(4-bromo-2-methylphenyl)-4,5-dihydrothieno[2,3-g][1,2]benzoxazole-3-carboxamide
CID 20943514
1-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 93068846
N-(2-chlorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20964659
N-(2-fluorophenyl)-1,8-dimethyl-4H-thiochromeno[3,4-d]pyrazole-3-carboxamide
CID 20964612
N-(2,4-dimethylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465560
1-methyl-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389064

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (CID 20948601) is N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is Cc1ccc(NC(=O)c2nn(C)c3c2CCc2sccc2-3)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The InChIKey is FDICLTXNSCUSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-11-4-6-15(12(2)10-11)20-19(23)17-14-5-7-16-13(8-9-24-16)18(14)22(3)21-17/h4,6,8-10H,5,7H2,1-3H3,(H,20,23).
What are the key properties of N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-methyl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is sourced from PubChem (CID 20948601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).