N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide

C20H18F3N5O4 — CID 140562830

IUPACN-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
SMILESNc1n[nH]c2cc(NC(=O)C(O)[C@H]3OCCN(c4ccc(C(F)(F)F)cc4)C3=O)ccc12
InChIInChI=1S/C20H18F3N5O4/c21-20(22,23)10-1-4-12(5-2-10)28-7-8-32-16(19(28)31)15(29)18(30)25-11-3-6-13-14(9-11)26-27-17(13)24/h1-6,9,15-16,29H,7-8H2,(H,25,30)(H3,24,26,27)/t15?,16-/m1/s1
InChIKeyYRIDYFOYVPIYEY-OEMAIJDKSA-N
MW449.39 g/mol
LogP1.90
Rot. Bonds4

About N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide

N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide (PubChem CID 140562830) has the molecular formula C20H18F3N5O4 and a molecular weight of 449.39 g/mol. Its IUPAC name is N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
PubChem CID140562830
Molecular FormulaC20H18F3N5O4
Molecular Weight449.39 g/mol
Exact Mass449.13
IUPAC NameN-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
SMILESNc1n[nH]c2cc(NC(=O)C(O)[C@H]3OCCN(c4ccc(C(F)(F)F)cc4)C3=O)ccc12
InChIInChI=1S/C20H18F3N5O4/c21-20(22,23)10-1-4-12(5-2-10)28-7-8-32-16(19(28)31)15(29)18(30)25-11-3-6-13-14(9-11)26-27-17(13)24/h1-6,9,15-16,29H,7-8H2,(H,25,30)(H3,24,26,27)/t15?,16-/m1/s1
InChIKeyYRIDYFOYVPIYEY-OEMAIJDKSA-N
XLogP1.90
TPSA133.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.39
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide 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

(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 58182102
N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 75153689
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123574337
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 46222375
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 67222335
(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide
CID 118501226
N-[3-(aminomethyl)-4-cyanophenyl]-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140562743
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide
CID 144677567
(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)morpholin-2-yl]acetamide;hydrochloride
CID 67032365
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123859129
(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290749
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)morpholin-2-yl]acetamide
CID 58181541

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
The IUPAC name of N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide (CID 140562830) is N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide.
What is the SMILES notation for N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
The canonical SMILES for N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide is Nc1n[nH]c2cc(NC(=O)C(O)[C@H]3OCCN(c4ccc(C(F)(F)F)cc4)C3=O)ccc12.
What is the InChIKey of N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
The InChIKey is YRIDYFOYVPIYEY-OEMAIJDKSA-N. The full InChI is InChI=1S/C20H18F3N5O4/c21-20(22,23)10-1-4-12(5-2-10)28-7-8-32-16(19(28)31)15(29)18(30)25-11-3-6-13-14(9-11)26-27-17(13)24/h1-6,9,15-16,29H,7-8H2,(H,25,30)(H3,24,26,27)/t15?,16-/m1/s1.
What are the key properties of N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide has a molecular weight of 449.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 140562830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).