4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol

C19H23FN3O2P — CID 155540488

IUPAC4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
SMILESCCc1cc(O)c(F)cc1-c1cc(NP(=O)(CC)CC)c2cn[nH]c2c1
InChIInChI=1S/C19H23FN3O2P/c1-4-12-9-19(24)16(20)10-14(12)13-7-17-15(11-21-22-17)18(8-13)23-26(25,5-2)6-3/h7-11,24H,4-6H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyBDFYRODIKBHYDQ-UHFFFAOYSA-N
MW375.38 g/mol
LogP5.37
Rot. Bonds6

About 4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol

4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol (PubChem CID 155540488) has the molecular formula C19H23FN3O2P and a molecular weight of 375.38 g/mol. Its IUPAC name is 4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol.

Molecular Properties

Compound Name4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
PubChem CID155540488
Molecular FormulaC19H23FN3O2P
Molecular Weight375.38 g/mol
Exact Mass375.15
IUPAC Name4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol
SMILESCCc1cc(O)c(F)cc1-c1cc(NP(=O)(CC)CC)c2cn[nH]c2c1
InChIInChI=1S/C19H23FN3O2P/c1-4-12-9-19(24)16(20)10-14(12)13-7-17-15(11-21-22-17)18(8-13)23-26(25,5-2)6-3/h7-11,24H,4-6H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyBDFYRODIKBHYDQ-UHFFFAOYSA-N
XLogP5.37
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.38
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
The IUPAC name of 4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol (CID 155540488) is 4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol.
What is the SMILES notation for 4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
The canonical SMILES for 4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol is CCc1cc(O)c(F)cc1-c1cc(NP(=O)(CC)CC)c2cn[nH]c2c1.
What is the InChIKey of 4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
The InChIKey is BDFYRODIKBHYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN3O2P/c1-4-12-9-19(24)16(20)10-14(12)13-7-17-15(11-21-22-17)18(8-13)23-26(25,5-2)6-3/h7-11,24H,4-6H2,1-3H3,(H,21,22)(H,23,25).
What are the key properties of 4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol?
4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol has a molecular weight of 375.38 g/mol, XLogP of 5.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(diethylphosphorylamino)-1H-indazol-6-yl]-5-ethyl-2-fluorophenol is sourced from PubChem (CID 155540488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).