1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide

C20H19ClFN5O3 — CID 130300071

IUPAC1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESCN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C20H19ClFN5O3/c1-26(10-16(28)24-9-12-5-4-7-14(21)18(12)22)17(29)11-27-15-8-3-2-6-13(15)19(25-27)20(23)30/h2-8H,9-11H2,1H3,(H2,23,30)(H,24,28)
InChIKeyHHBSJSHYEWYHKN-UHFFFAOYSA-N
MW431.86 g/mol
LogP1.70
Rot. Bonds7

About 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide

1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 130300071) has the molecular formula C20H19ClFN5O3 and a molecular weight of 431.86 g/mol. Its IUPAC name is 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID130300071
Molecular FormulaC20H19ClFN5O3
Molecular Weight431.86 g/mol
Exact Mass431.12
IUPAC Name1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESCN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21
InChIInChI=1S/C20H19ClFN5O3/c1-26(10-16(28)24-9-12-5-4-7-14(21)18(12)22)17(29)11-27-15-8-3-2-6-13(15)19(25-27)20(23)30/h2-8H,9-11H2,1H3,(H2,23,30)(H,24,28)
InChIKeyHHBSJSHYEWYHKN-UHFFFAOYSA-N
XLogP1.70
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.86
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]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-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide (CID 130300071) is 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide is CN(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.
What is the InChIKey of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is HHBSJSHYEWYHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClFN5O3/c1-26(10-16(28)24-9-12-5-4-7-14(21)18(12)22)17(29)11-27-15-8-3-2-6-13(15)19(25-27)20(23)30/h2-8H,9-11H2,1H3,(H2,23,30)(H,24,28).
What are the key properties of 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide?
1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 431.86 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-methylamino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 130300071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).