3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol

C14H12Cl2F2N4O — CID 170427139

IUPAC3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C14H12Cl2F2N4O/c15-9-1-10(20-5-14(17,18)6-23)11-8(7-2-21-22-3-7)4-19-13(11)12(9)16/h1-4,19-20,23H,5-6H2,(H,21,22)
InChIKeyGIRDNMNADNCAAZ-UHFFFAOYSA-N
MW361.18 g/mol
LogP3.90
Rot. Bonds5

About 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol

3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol (PubChem CID 170427139) has the molecular formula C14H12Cl2F2N4O and a molecular weight of 361.18 g/mol. Its IUPAC name is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol
PubChem CID170427139
Molecular FormulaC14H12Cl2F2N4O
Molecular Weight361.18 g/mol
Exact Mass360.04
IUPAC Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C14H12Cl2F2N4O/c15-9-1-10(20-5-14(17,18)6-23)11-8(7-2-21-22-3-7)4-19-13(11)12(9)16/h1-4,19-20,23H,5-6H2,(H,21,22)
InChIKeyGIRDNMNADNCAAZ-UHFFFAOYSA-N
XLogP3.90
TPSA76.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 53.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol 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 272
CID 170426886
US20230391786, Example 225
CID 170426951
US20230391786, Example 275
CID 170427041
US20230391786, Example 122
CID 170427066
US20230391786, Example 337
CID 170427186
US20230391786, Example 219
CID 170427213
US20230391786, Example 263
CID 170427235
US20230391786, Example 208
CID 170427473
US20230391786, Example 171
CID 170427560

Frequently Asked Questions

What is the IUPAC name of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol (CID 170427139) is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol is OCC(F)(F)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12.
What is the InChIKey of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol?
The InChIKey is GIRDNMNADNCAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2F2N4O/c15-9-1-10(20-5-14(17,18)6-23)11-8(7-2-21-22-3-7)4-19-13(11)12(9)16/h1-4,19-20,23H,5-6H2,(H,21,22).
What are the key properties of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol?
3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol has a molecular weight of 361.18 g/mol, XLogP of 3.90, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 170427139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).