7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine

C12H11BrClF2N3S — CID 142466401

IUPAC7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine
SMILESFC(F)Cn1nc(NSC2CC2)c2c(Cl)ccc(Br)c21
InChIInChI=1S/C12H11BrClF2N3S/c13-7-3-4-8(14)10-11(7)19(5-9(15)16)17-12(10)18-20-6-1-2-6/h3-4,6,9H,1-2,5H2,(H,17,18)
InChIKeyDDPAXROXVDXWAG-UHFFFAOYSA-N
MW382.66 g/mol
LogP4.94
Rot. Bonds5

About 7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine

7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine (PubChem CID 142466401) has the molecular formula C12H11BrClF2N3S and a molecular weight of 382.66 g/mol. Its IUPAC name is 7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine.

Molecular Properties

Compound Name7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine
PubChem CID142466401
Molecular FormulaC12H11BrClF2N3S
Molecular Weight382.66 g/mol
Exact Mass380.95
IUPAC Name7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine
SMILESFC(F)Cn1nc(NSC2CC2)c2c(Cl)ccc(Br)c21
InChIInChI=1S/C12H11BrClF2N3S/c13-7-3-4-8(14)10-11(7)19(5-9(15)16)17-12(10)18-20-6-1-2-6/h3-4,6,9H,1-2,5H2,(H,17,18)
InChIKeyDDPAXROXVDXWAG-UHFFFAOYSA-N
XLogP4.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.66
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine 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-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine?
The IUPAC name of 7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine (CID 142466401) is 7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine.
What is the SMILES notation for 7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine?
The canonical SMILES for 7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine is FC(F)Cn1nc(NSC2CC2)c2c(Cl)ccc(Br)c21.
What is the InChIKey of 7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine?
The InChIKey is DDPAXROXVDXWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClF2N3S/c13-7-3-4-8(14)10-11(7)19(5-9(15)16)17-12(10)18-20-6-1-2-6/h3-4,6,9H,1-2,5H2,(H,17,18).
What are the key properties of 7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine?
7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine has a molecular weight of 382.66 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-N-cyclopropylsulfanyl-1-(2,2-difluoroethyl)indazol-3-amine is sourced from PubChem (CID 142466401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).