(2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide

C15H18F3N3O3 — CID 70748666

IUPAC(2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide
SMILESCC(C)Oc1ccc2c(NC(=O)[C@H](C)O)nn(CC(F)(F)F)c2c1
InChIInChI=1S/C15H18F3N3O3/c1-8(2)24-10-4-5-11-12(6-10)21(7-15(16,17)18)20-13(11)19-14(23)9(3)22/h4-6,8-9,22H,7H2,1-3H3,(H,19,20,23)/t9-/m0/s1
InChIKeyGNCFECBZXGSGQB-VIFPVBQESA-N
MW345.32 g/mol
LogP2.71
Rot. Bonds5

About (2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide

(2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide (PubChem CID 70748666) has the molecular formula C15H18F3N3O3 and a molecular weight of 345.32 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide
PubChem CID70748666
Molecular FormulaC15H18F3N3O3
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name(2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide
SMILESCC(C)Oc1ccc2c(NC(=O)[C@H](C)O)nn(CC(F)(F)F)c2c1
InChIInChI=1S/C15H18F3N3O3/c1-8(2)24-10-4-5-11-12(6-10)21(7-15(16,17)18)20-13(11)19-14(23)9(3)22/h4-6,8-9,22H,7H2,1-3H3,(H,19,20,23)/t9-/m0/s1
InChIKeyGNCFECBZXGSGQB-VIFPVBQESA-N
XLogP2.71
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide?
The IUPAC name of (2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide (CID 70748666) is (2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide?
The canonical SMILES for (2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide is CC(C)Oc1ccc2c(NC(=O)[C@H](C)O)nn(CC(F)(F)F)c2c1.
What is the InChIKey of (2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide?
The InChIKey is GNCFECBZXGSGQB-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18F3N3O3/c1-8(2)24-10-4-5-11-12(6-10)21(7-15(16,17)18)20-13(11)19-14(23)9(3)22/h4-6,8-9,22H,7H2,1-3H3,(H,19,20,23)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide?
(2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide has a molecular weight of 345.32 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]propanamide is sourced from PubChem (CID 70748666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).