2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol

C16H15ClN4O — CID 123782858

IUPAC2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol
SMILESCN1NCc2cccc(C3(O)C(N)=Nc4ccc(Cl)cc43)c21
InChIInChI=1S/C16H15ClN4O/c1-21-14-9(8-19-21)3-2-4-11(14)16(22)12-7-10(17)5-6-13(12)20-15(16)18/h2-7,19,22H,8H2,1H3,(H2,18,20)
InChIKeyLYIJDELJSOUHHS-UHFFFAOYSA-N
MW314.78 g/mol
LogP2.03
Rot. Bonds1

About 2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol

2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol (PubChem CID 123782858) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol.

Molecular Properties

Compound Name2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol
PubChem CID123782858
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol
SMILESCN1NCc2cccc(C3(O)C(N)=Nc4ccc(Cl)cc43)c21
InChIInChI=1S/C16H15ClN4O/c1-21-14-9(8-19-21)3-2-4-11(14)16(22)12-7-10(17)5-6-13(12)20-15(16)18/h2-7,19,22H,8H2,1H3,(H2,18,20)
InChIKeyLYIJDELJSOUHHS-UHFFFAOYSA-N
XLogP2.03
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-chloro-3-(5-chloro-1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol
CID 123879953
2-amino-5-chloro-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)indol-3-ol
CID 123236132
2-amino-5-chloro-3-(5-chloro-2-propylsulfanylphenyl)indol-3-ol
CID 123954599
2-amino-5-chloro-3-(2-chloro-4-propoxyphenyl)indol-3-ol
CID 123157205
(3S)-2-amino-3-phenylindol-3-ol
CID 129405723
4-(3-chlorophenyl)-1-methylpiperidin-4-ol;ethane
CID 144802355
6-chloro-4-methyl-4-phenyl-3,1-benzothiazin-2-amine
CID 154097398
1'-(3-chlorophenyl)spiro[1,2-dihydroindene-3,5'-4H-imidazole]-2'-amine
CID 79499915
7-chloro-3-(4-methoxy-2,3-dihydro-1H-inden-2-yl)-4H-quinazolin-2-amine
CID 86297642
1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83868837
5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one
CID 22560825
7-(3-chlorophenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 67380705

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol?
The IUPAC name of 2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol (CID 123782858) is 2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol.
What is the SMILES notation for 2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol?
The canonical SMILES for 2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol is CN1NCc2cccc(C3(O)C(N)=Nc4ccc(Cl)cc43)c21.
What is the InChIKey of 2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol?
The InChIKey is LYIJDELJSOUHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-21-14-9(8-19-21)3-2-4-11(14)16(22)12-7-10(17)5-6-13(12)20-15(16)18/h2-7,19,22H,8H2,1H3,(H2,18,20).
What are the key properties of 2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol?
2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol has a molecular weight of 314.78 g/mol, XLogP of 2.03, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-3-(1-methyl-2,3-dihydroindazol-7-yl)indol-3-ol is sourced from PubChem (CID 123782858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).