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

C14H13Cl2FN4O — CID 170427620

IUPAC3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-fluoropropan-1-ol
SMILESOCC(F)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C14H13Cl2FN4O/c15-10-1-11(18-4-8(17)6-22)12-9(7-2-20-21-3-7)5-19-14(12)13(10)16/h1-3,5,8,18-19,22H,4,6H2,(H,20,21)
InChIKeySHNQIFOEDZPFST-UHFFFAOYSA-N
MW343.19 g/mol
LogP3.61
Rot. Bonds5

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

3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-fluoropropan-1-ol (PubChem CID 170427620) has the molecular formula C14H13Cl2FN4O and a molecular weight of 343.19 g/mol. Its IUPAC name is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-fluoropropan-1-ol.

Molecular Properties

Compound Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-fluoropropan-1-ol
PubChem CID170427620
Molecular FormulaC14H13Cl2FN4O
Molecular Weight343.19 g/mol
Exact Mass342.05
IUPAC Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-fluoropropan-1-ol
SMILESOCC(F)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C14H13Cl2FN4O/c15-10-1-11(18-4-8(17)6-22)12-9(7-2-20-21-3-7)5-19-14(12)13(10)16/h1-3,5,8,18-19,22H,4,6H2,(H,20,21)
InChIKeySHNQIFOEDZPFST-UHFFFAOYSA-N
XLogP3.61
TPSA76.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 53.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-fluoropropan-1-ol with MolForge

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Related Compounds

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CID 170426687
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CID 170426856
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CID 170426886
US20230391786, Example 225
CID 170426951
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 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-fluoropropan-1-ol?
The IUPAC name of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-fluoropropan-1-ol (CID 170427620) is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-fluoropropan-1-ol.
What is the SMILES notation for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-fluoropropan-1-ol?
The canonical SMILES for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-fluoropropan-1-ol is OCC(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-fluoropropan-1-ol?
The InChIKey is SHNQIFOEDZPFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN4O/c15-10-1-11(18-4-8(17)6-22)12-9(7-2-20-21-3-7)5-19-14(12)13(10)16/h1-3,5,8,18-19,22H,4,6H2,(H,20,21).
What are the key properties of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-fluoropropan-1-ol?
3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-fluoropropan-1-ol has a molecular weight of 343.19 g/mol, XLogP of 3.61, 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-fluoropropan-1-ol is sourced from PubChem (CID 170427620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).