4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol

C20H15Cl2N3O — CID 137123714

IUPAC4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol
SMILESNc1n[nH]c2cc(-c3ccc(O)cc3)c(Cc3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C20H15Cl2N3O/c21-17-2-1-3-18(22)15(17)8-12-9-16-19(24-25-20(16)23)10-14(12)11-4-6-13(26)7-5-11/h1-7,9-10,26H,8H2,(H3,23,24,25)
InChIKeyJPFBRSYTQHMCCM-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.42
Rot. Bonds3

About 4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol

4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol (PubChem CID 137123714) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is 4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol
PubChem CID137123714
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol
SMILESNc1n[nH]c2cc(-c3ccc(O)cc3)c(Cc3c(Cl)cccc3Cl)cc12
InChIInChI=1S/C20H15Cl2N3O/c21-17-2-1-3-18(22)15(17)8-12-9-16-19(24-25-20(16)23)10-14(12)11-4-6-13(26)7-5-11/h1-7,9-10,26H,8H2,(H3,23,24,25)
InChIKeyJPFBRSYTQHMCCM-UHFFFAOYSA-N
XLogP5.42
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol?
The IUPAC name of 4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol (CID 137123714) is 4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol is Nc1n[nH]c2cc(-c3ccc(O)cc3)c(Cc3c(Cl)cccc3Cl)cc12.
What is the InChIKey of 4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol?
The InChIKey is JPFBRSYTQHMCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c21-17-2-1-3-18(22)15(17)8-12-9-16-19(24-25-20(16)23)10-14(12)11-4-6-13(26)7-5-11/h1-7,9-10,26H,8H2,(H3,23,24,25).
What are the key properties of 4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol?
4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol has a molecular weight of 384.27 g/mol, XLogP of 5.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-5-[(2,6-dichlorophenyl)methyl]-1H-indazol-6-yl]phenol is sourced from PubChem (CID 137123714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).