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

C16H21F3N4O2 — CID 70712103

IUPAC(2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide
SMILESCC[C@H](N)C(=O)Nc1nn(CC(F)(F)F)c2cc(OC(C)C)ccc12
InChIInChI=1S/C16H21F3N4O2/c1-4-12(20)15(24)21-14-11-6-5-10(25-9(2)3)7-13(11)23(22-14)8-16(17,18)19/h5-7,9,12H,4,8,20H2,1-3H3,(H,21,22,24)/t12-/m0/s1
InChIKeyCFDGEJJGTQDKNK-LBPRGKRZSA-N
MW358.36 g/mol
LogP3.06
Rot. Bonds6

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

(2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide (PubChem CID 70712103) has the molecular formula C16H21F3N4O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide
PubChem CID70712103
Molecular FormulaC16H21F3N4O2
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name(2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide
SMILESCC[C@H](N)C(=O)Nc1nn(CC(F)(F)F)c2cc(OC(C)C)ccc12
InChIInChI=1S/C16H21F3N4O2/c1-4-12(20)15(24)21-14-11-6-5-10(25-9(2)3)7-13(11)23(22-14)8-16(17,18)19/h5-7,9,12H,4,8,20H2,1-3H3,(H,21,22,24)/t12-/m0/s1
InChIKeyCFDGEJJGTQDKNK-LBPRGKRZSA-N
XLogP3.06
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide?
The IUPAC name of (2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide (CID 70712103) is (2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide is CC[C@H](N)C(=O)Nc1nn(CC(F)(F)F)c2cc(OC(C)C)ccc12.
What is the InChIKey of (2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide?
The InChIKey is CFDGEJJGTQDKNK-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21F3N4O2/c1-4-12(20)15(24)21-14-11-6-5-10(25-9(2)3)7-13(11)23(22-14)8-16(17,18)19/h5-7,9,12H,4,8,20H2,1-3H3,(H,21,22,24)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide?
(2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide has a molecular weight of 358.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]butanamide is sourced from PubChem (CID 70712103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).