1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

C21H20Cl2N4OS — CID 11612069

IUPAC1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESCc1cc2c(s1)CCc1c(C(=O)NN3CCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2
InChIInChI=1S/C21H20Cl2N4OS/c1-12-10-15-18(29-12)7-5-14-19(21(28)25-26-8-2-3-9-26)24-27(20(14)15)17-6-4-13(22)11-16(17)23/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,25,28)
InChIKeyRKBKJSHFYGVXAQ-UHFFFAOYSA-N
MW447.39 g/mol
LogP5.06
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide

1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (PubChem CID 11612069) has the molecular formula C21H20Cl2N4OS and a molecular weight of 447.39 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
PubChem CID11612069
Molecular FormulaC21H20Cl2N4OS
Molecular Weight447.39 g/mol
Exact Mass446.07
IUPAC Name1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
SMILESCc1cc2c(s1)CCc1c(C(=O)NN3CCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2
InChIInChI=1S/C21H20Cl2N4OS/c1-12-10-15-18(29-12)7-5-14-19(21(28)25-26-8-2-3-9-26)24-27(20(14)15)17-6-4-13(22)11-16(17)23/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,25,28)
InChIKeyRKBKJSHFYGVXAQ-UHFFFAOYSA-N
XLogP5.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.39
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide (CID 11612069) is 1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is Cc1cc2c(s1)CCc1c(C(=O)NN3CCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2.
What is the InChIKey of 1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
The InChIKey is RKBKJSHFYGVXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4OS/c1-12-10-15-18(29-12)7-5-14-19(21(28)25-26-8-2-3-9-26)24-27(20(14)15)17-6-4-13(22)11-16(17)23/h4,6,10-11H,2-3,5,7-9H2,1H3,(H,25,28).
What are the key properties of 1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide?
1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide has a molecular weight of 447.39 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide is sourced from PubChem (CID 11612069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).