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

C15H16Cl2N4O — CID 170426614

IUPAC3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C15H16Cl2N4O/c1-8(7-22)3-18-12-2-11(16)14(17)15-13(12)10(6-19-15)9-4-20-21-5-9/h2,4-6,8,18-19,22H,3,7H2,1H3,(H,20,21)
InChIKeySFFDRQVGXMLJNF-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.91
Rot. Bonds5

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

3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-methylpropan-1-ol (PubChem CID 170426614) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-methylpropan-1-ol
PubChem CID170426614
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-methylpropan-1-ol
SMILESCC(CO)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C15H16Cl2N4O/c1-8(7-22)3-18-12-2-11(16)14(17)15-13(12)10(6-19-15)9-4-20-21-5-9/h2,4-6,8,18-19,22H,3,7H2,1H3,(H,20,21)
InChIKeySFFDRQVGXMLJNF-UHFFFAOYSA-N
XLogP3.91
TPSA76.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

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Related Compounds

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CID 170426687
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CID 170426886
US20230391786, Example 225
CID 170426951
US20230391786, Example 122
CID 170427066
US20230391786, Example 186
CID 170427139
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CID 170427235
US20230391786, Example 208
CID 170427473
US20230391786, Example 171
CID 170427560
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CID 170427620
US20230391786, Example 169
CID 170427659

Frequently Asked Questions

What is the IUPAC name of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-methylpropan-1-ol (CID 170426614) is 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-methylpropan-1-ol is CC(CO)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-methylpropan-1-ol?
The InChIKey is SFFDRQVGXMLJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-8(7-22)3-18-12-2-11(16)14(17)15-13(12)10(6-19-15)9-4-20-21-5-9/h2,4-6,8,18-19,22H,3,7H2,1H3,(H,20,21).
What are the key properties of 3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-methylpropan-1-ol?
3-[[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]amino]-2-methylpropan-1-ol has a molecular weight of 339.23 g/mol, XLogP of 3.91, 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-methylpropan-1-ol is sourced from PubChem (CID 170426614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).