[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate

C19H18FN3O3 — CID 33059231

IUPAC[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2cn[nH]c2c1)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3/c1-11(13-5-7-16(20)8-6-13)22-18(24)12(2)26-19(25)14-3-4-15-10-21-23-17(15)9-14/h3-12H,1-2H3,(H,21,23)(H,22,24)/t11-,12-/m1/s1
InChIKeyBTEWBOBBBADQLV-VXGBXAGGSA-N
MW355.37 g/mol
LogP3.12
Rot. Bonds5

About [(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate

[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate (PubChem CID 33059231) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is [(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
PubChem CID33059231
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2cn[nH]c2c1)C(=O)N[C@H](C)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O3/c1-11(13-5-7-16(20)8-6-13)22-18(24)12(2)26-19(25)14-3-4-15-10-21-23-17(15)9-14/h3-12H,1-2H3,(H,21,23)(H,22,24)/t11-,12-/m1/s1
InChIKeyBTEWBOBBBADQLV-VXGBXAGGSA-N
XLogP3.12
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

propan-2-yl 1H-indazole-6-carboxylate
CID 33056357
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 7203923
[(2S)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
CID 33058114
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 7812959
N-[1-(3-fluorophenyl)ethyl]-1H-indazole-6-carboxamide
CID 60715179
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
CID 55528394
[(2S)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 3-(methylsulfamoyl)benzoate
CID 9320873
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 4-(carbamoylamino)benzoate
CID 46792999
[(2R)-1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1H-indazole-6-carboxylate
CID 33062307
[(2S)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate
CID 8663691
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-amino-4-fluorobenzoate
CID 43051035
[1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-propan-2-ylquinoline-4-carboxylate
CID 55477096

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate?
The IUPAC name of [(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate (CID 33059231) is [(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate.
What is the SMILES notation for [(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate?
The canonical SMILES for [(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate is C[C@@H](OC(=O)c1ccc2cn[nH]c2c1)C(=O)N[C@H](C)c1ccc(F)cc1.
What is the InChIKey of [(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate?
The InChIKey is BTEWBOBBBADQLV-VXGBXAGGSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-11(13-5-7-16(20)8-6-13)22-18(24)12(2)26-19(25)14-3-4-15-10-21-23-17(15)9-14/h3-12H,1-2H3,(H,21,23)(H,22,24)/t11-,12-/m1/s1.
What are the key properties of [(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate?
[(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate has a molecular weight of 355.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-6-carboxylate is sourced from PubChem (CID 33059231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).