6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine

C15H13Cl2FN4 — CID 170427473

IUPAC6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
SMILESFC1CC(Nc2cc(Cl)c(Cl)c3[nH]cc(-c4cn[nH]c4)c23)C1
InChIInChI=1S/C15H13Cl2FN4/c16-11-3-12(22-9-1-8(18)2-9)13-10(7-4-20-21-5-7)6-19-15(13)14(11)17/h3-6,8-9,19,22H,1-2H2,(H,20,21)
InChIKeyDHHFLDIDKJHIBV-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.78
Rot. Bonds3

About 6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine

6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine (PubChem CID 170427473) has the molecular formula C15H13Cl2FN4 and a molecular weight of 339.20 g/mol. Its IUPAC name is 6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine.

Molecular Properties

Compound Name6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
PubChem CID170427473
Molecular FormulaC15H13Cl2FN4
Molecular Weight339.20 g/mol
Exact Mass338.05
IUPAC Name6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
SMILESFC1CC(Nc2cc(Cl)c(Cl)c3[nH]cc(-c4cn[nH]c4)c23)C1
InChIInChI=1S/C15H13Cl2FN4/c16-11-3-12(22-9-1-8(18)2-9)13-10(7-4-20-21-5-7)6-19-15(13)14(11)17/h3-6,8-9,19,22H,1-2H2,(H,20,21)
InChIKeyDHHFLDIDKJHIBV-UHFFFAOYSA-N
XLogP4.78
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine 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

US20230391786, Example 170
CID 170426687
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 122
CID 170427066
US20230391786, Example 186
CID 170427139
US20230391786, Example 337
CID 170427186
US20230391786, Example 219
CID 170427213
US20230391786, Example 263
CID 170427235
US20230391786, Example 171
CID 170427560
US20230391786, Example 187
CID 170427620
US20230391786, Example 169
CID 170427659
US20230391786, Example 188
CID 170427672

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
The IUPAC name of 6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine (CID 170427473) is 6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine.
What is the SMILES notation for 6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
The canonical SMILES for 6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine is FC1CC(Nc2cc(Cl)c(Cl)c3[nH]cc(-c4cn[nH]c4)c23)C1.
What is the InChIKey of 6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
The InChIKey is DHHFLDIDKJHIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN4/c16-11-3-12(22-9-1-8(18)2-9)13-10(7-4-20-21-5-7)6-19-15(13)14(11)17/h3-6,8-9,19,22H,1-2H2,(H,20,21).
What are the key properties of 6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine has a molecular weight of 339.20 g/mol, XLogP of 4.78, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-(3-fluorocyclobutyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine is sourced from PubChem (CID 170427473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).