[(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid

C19H20FN3O4 — CID 67777022

IUPAC[(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid
SMILESCCOc1ccc2cn(-c3ccc(OC[C@H](C)NC(=O)O)cc3F)nc2c1
InChIInChI=1S/C19H20FN3O4/c1-3-26-15-5-4-13-10-23(22-17(13)9-15)18-7-6-14(8-16(18)20)27-11-12(2)21-19(24)25/h4-10,12,21H,3,11H2,1-2H3,(H,24,25)/t12-/m0/s1
InChIKeyYJAYOIJHIMKHIM-LBPRGKRZSA-N
MW373.38 g/mol
LogP3.60
Rot. Bonds7

About [(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid

[(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid (PubChem CID 67777022) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is [(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid
PubChem CID67777022
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name[(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid
SMILESCCOc1ccc2cn(-c3ccc(OC[C@H](C)NC(=O)O)cc3F)nc2c1
InChIInChI=1S/C19H20FN3O4/c1-3-26-15-5-4-13-10-23(22-17(13)9-15)18-7-6-14(8-16(18)20)27-11-12(2)21-19(24)25/h4-10,12,21H,3,11H2,1-2H3,(H,24,25)/t12-/m0/s1
InChIKeyYJAYOIJHIMKHIM-LBPRGKRZSA-N
XLogP3.60
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid?
The IUPAC name of [(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid (CID 67777022) is [(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid is CCOc1ccc2cn(-c3ccc(OC[C@H](C)NC(=O)O)cc3F)nc2c1.
What is the InChIKey of [(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid?
The InChIKey is YJAYOIJHIMKHIM-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-3-26-15-5-4-13-10-23(22-17(13)9-15)18-7-6-14(8-16(18)20)27-11-12(2)21-19(24)25/h4-10,12,21H,3,11H2,1-2H3,(H,24,25)/t12-/m0/s1.
What are the key properties of [(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid?
[(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid has a molecular weight of 373.38 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[4-(6-ethoxyindazol-2-yl)-3-fluorophenoxy]propan-2-yl]carbamic acid is sourced from PubChem (CID 67777022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).