7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide

C22H19Cl2F2N5O3 — CID 147245402

IUPAC7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N(CC(=O)NCc2c(F)ccc(Cl)c2F)C2CC2)c2c(Cl)cccc12
InChIInChI=1S/C22H19Cl2F2N5O3/c23-14-6-7-16(25)13(19(14)26)8-28-17(32)9-30(11-4-5-11)18(33)10-31-21-12(2-1-3-15(21)24)20(29-31)22(27)34/h1-3,6-7,11H,4-5,8-10H2,(H2,27,34)(H,28,32)
InChIKeyCLPHBXOWROJWLK-UHFFFAOYSA-N
MW510.33 g/mol
LogP3.03
Rot. Bonds8

About 7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide

7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 147245402) has the molecular formula C22H19Cl2F2N5O3 and a molecular weight of 510.33 g/mol. Its IUPAC name is 7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

Compound Name7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
PubChem CID147245402
Molecular FormulaC22H19Cl2F2N5O3
Molecular Weight510.33 g/mol
Exact Mass509.08
IUPAC Name7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide
SMILESNC(=O)c1nn(CC(=O)N(CC(=O)NCc2c(F)ccc(Cl)c2F)C2CC2)c2c(Cl)cccc12
InChIInChI=1S/C22H19Cl2F2N5O3/c23-14-6-7-16(25)13(19(14)26)8-28-17(32)9-30(11-4-5-11)18(33)10-31-21-12(2-1-3-15(21)24)20(29-31)22(27)34/h1-3,6-7,11H,4-5,8-10H2,(H2,27,34)(H,28,32)
InChIKeyCLPHBXOWROJWLK-UHFFFAOYSA-N
XLogP3.03
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-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 7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide?
The IUPAC name of 7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide (CID 147245402) is 7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide.
What is the SMILES notation for 7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide?
The canonical SMILES for 7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide is NC(=O)c1nn(CC(=O)N(CC(=O)NCc2c(F)ccc(Cl)c2F)C2CC2)c2c(Cl)cccc12.
What is the InChIKey of 7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide?
The InChIKey is CLPHBXOWROJWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2F2N5O3/c23-14-6-7-16(25)13(19(14)26)8-28-17(32)9-30(11-4-5-11)18(33)10-31-21-12(2-1-3-15(21)24)20(29-31)22(27)34/h1-3,6-7,11H,4-5,8-10H2,(H2,27,34)(H,28,32).
What are the key properties of 7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide?
7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 510.33 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-[2-[[2-[(3-chloro-2,6-difluorophenyl)methylamino]-2-oxoethyl]-cyclopropylamino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 147245402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).