N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide

C19H19FN4OS — CID 72628044

IUPACN-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)Nc2cc3c(C=Cc4cccs4)n[nH]c3cc2F)CC1
InChIInChI=1S/C19H19FN4OS/c1-21-11-19(6-7-19)18(25)22-17-9-13-15(5-4-12-3-2-8-26-12)23-24-16(13)10-14(17)20/h2-5,8-10,21H,6-7,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyVHAZLNYXFITDJR-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.87
Rot. Bonds6

About N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide

N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide (PubChem CID 72628044) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
PubChem CID72628044
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC NameN-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide
SMILESCNCC1(C(=O)Nc2cc3c(C=Cc4cccs4)n[nH]c3cc2F)CC1
InChIInChI=1S/C19H19FN4OS/c1-21-11-19(6-7-19)18(25)22-17-9-13-15(5-4-12-3-2-8-26-12)23-24-16(13)10-14(17)20/h2-5,8-10,21H,6-7,11H2,1H3,(H,22,25)(H,23,24)
InChIKeyVHAZLNYXFITDJR-UHFFFAOYSA-N
XLogP3.87
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-N-(3-(2-(6-methyl-5-(2-(thiophen-2-yl)acetamido)-1H-indazol-3-yl)vinyl)phenyl)piperazine-1-carboxamide
CID 16730408
N-(6-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 16730410
N-(4-methyl-3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 16730586
N-(6-methyl-3-(phenylethynyl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 46886343
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazol-5-yl]-2-pyrrolidin-1-yl-2-thiophen-3-ylacetamide
CID 71603823
N-(6-(pyrrolidin-1-yl)-3-styryl-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 16730664
N-(3-(3-((4-methylpiperazin-1-yl)methyl)styryl)-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 23583059
N-(6-methyl-3-styryl-1H-indazol-5-yl)-2-(thiophen-2-yl)acetamide
CID 46886342
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]thiophene-2-carboxamide
CID 22479970
N-(2H-indazol-3-ylmethyl)thiophene-3-carboxamide
CID 53038130
N-(1H-indazol-5-yl)-5-methylthiophene-3-carboxamide
CID 17060511
N-[3-(3-fluorophenyl)-1H-indazol-5-yl]-2-thiophen-2-ylacetamide
CID 9928392

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide (CID 72628044) is N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide is CNCC1(C(=O)Nc2cc3c(C=Cc4cccs4)n[nH]c3cc2F)CC1.
What is the InChIKey of N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide?
The InChIKey is VHAZLNYXFITDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-21-11-19(6-7-19)18(25)22-17-9-13-15(5-4-12-3-2-8-26-12)23-24-16(13)10-14(17)20/h2-5,8-10,21H,6-7,11H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide?
N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-3-(2-thiophen-2-ylethenyl)-1H-indazol-5-yl]-1-(methylaminomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 72628044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).