methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate

C24H23ClFN5O5 — CID 130299998

IUPACmethyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C24H23ClFN5O5/c1-36-24(35)13-5-8-18-16(9-13)22(23(27)34)29-31(18)12-20(33)30(15-6-7-15)11-19(32)28-10-14-3-2-4-17(25)21(14)26/h2-5,8-9,15H,6-7,10-12H2,1H3,(H2,27,34)(H,28,32)
InChIKeyKXQWATBDGYYSLT-UHFFFAOYSA-N
MW515.93 g/mol
LogP2.02
Rot. Bonds9

About methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate

methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate (PubChem CID 130299998) has the molecular formula C24H23ClFN5O5 and a molecular weight of 515.93 g/mol. Its IUPAC name is methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate
PubChem CID130299998
Molecular FormulaC24H23ClFN5O5
Molecular Weight515.93 g/mol
Exact Mass515.14
IUPAC Namemethyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1
InChIInChI=1S/C24H23ClFN5O5/c1-36-24(35)13-5-8-18-16(9-13)22(23(27)34)29-31(18)12-20(33)30(15-6-7-15)11-19(32)28-10-14-3-2-4-17(25)21(14)26/h2-5,8-9,15H,6-7,10-12H2,1H3,(H2,27,34)(H,28,32)
InChIKeyKXQWATBDGYYSLT-UHFFFAOYSA-N
XLogP2.02
TPSA136.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.93
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate 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 methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate?
The IUPAC name of methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate (CID 130299998) is methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate.
What is the SMILES notation for methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate?
The canonical SMILES for methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate is COC(=O)c1ccc2c(c1)c(C(N)=O)nn2CC(=O)N(CC(=O)NCc1cccc(Cl)c1F)C1CC1.
What is the InChIKey of methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate?
The InChIKey is KXQWATBDGYYSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5O5/c1-36-24(35)13-5-8-18-16(9-13)22(23(27)34)29-31(18)12-20(33)30(15-6-7-15)11-19(32)28-10-14-3-2-4-17(25)21(14)26/h2-5,8-9,15H,6-7,10-12H2,1H3,(H2,27,34)(H,28,32).
What are the key properties of methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate?
methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate has a molecular weight of 515.93 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-carbamoyl-1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-5-carboxylate is sourced from PubChem (CID 130299998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).