2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride

C23H23ClF4N6O3 — CID 171636663

IUPAC2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
SMILESCl.Nc1cc(C(=O)N2CC(c3nn(CC(=O)N4CCO[C@@H](C(F)(F)F)C4)c4cccc(F)c34)C2)ccn1
InChIInChI=1S/C23H22F4N6O3.ClH/c24-15-2-1-3-16-20(15)21(14-9-32(10-14)22(35)13-4-5-29-18(28)8-13)30-33(16)12-19(34)31-6-7-36-17(11-31)23(25,26)27;/h1-5,8,14,17H,6-7,9-12H2,(H2,28,29);1H/t17-;/m1./s1
InChIKeyWBHOHPDTGIQDJN-UNTBIKODSA-N
MW542.92 g/mol
LogP2.60
Rot. Bonds4

About 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride

2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride (PubChem CID 171636663) has the molecular formula C23H23ClF4N6O3 and a molecular weight of 542.92 g/mol. Its IUPAC name is 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
PubChem CID171636663
Molecular FormulaC23H23ClF4N6O3
Molecular Weight542.92 g/mol
Exact Mass542.15
IUPAC Name2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
SMILESCl.Nc1cc(C(=O)N2CC(c3nn(CC(=O)N4CCO[C@@H](C(F)(F)F)C4)c4cccc(F)c34)C2)ccn1
InChIInChI=1S/C23H22F4N6O3.ClH/c24-15-2-1-3-16-20(15)21(14-9-32(10-14)22(35)13-4-5-29-18(28)8-13)30-33(16)12-19(34)31-6-7-36-17(11-31)23(25,26)27;/h1-5,8,14,17H,6-7,9-12H2,(H2,28,29);1H/t17-;/m1./s1
InChIKeyWBHOHPDTGIQDJN-UNTBIKODSA-N
XLogP2.60
TPSA106.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.92
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride with MolForge

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Related Compounds

2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 171636786
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 171636563
2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
CID 171636756
2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 171636757
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide
CID 171636850
(2-amino-4-pyridinyl)-[3-[4-fluoro-1-[(1-phenyltriazol-4-yl)methyl]indazol-3-yl]azetidin-1-yl]methanone
CID 171636736
(2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride
CID 171636677
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 171636925
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethoxymethyl)pyrrolidin-1-yl]ethanone
CID 171636669
(2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone
CID 177308012
tert-butyl 4-[4-fluoro-1-[2-oxo-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethyl]indol-3-yl]piperidine-1-carboxylate
CID 171636550
(2-amino-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-4-yl]methanone
CID 25374537

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride?
The IUPAC name of 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride (CID 171636663) is 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride?
The canonical SMILES for 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride is Cl.Nc1cc(C(=O)N2CC(c3nn(CC(=O)N4CCO[C@@H](C(F)(F)F)C4)c4cccc(F)c34)C2)ccn1.
What is the InChIKey of 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride?
The InChIKey is WBHOHPDTGIQDJN-UNTBIKODSA-N. The full InChI is InChI=1S/C23H22F4N6O3.ClH/c24-15-2-1-3-16-20(15)21(14-9-32(10-14)22(35)13-4-5-29-18(28)8-13)30-33(16)12-19(34)31-6-7-36-17(11-31)23(25,26)27;/h1-5,8,14,17H,6-7,9-12H2,(H2,28,29);1H/t17-;/m1./s1.
What are the key properties of 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride?
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride has a molecular weight of 542.92 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride is sourced from PubChem (CID 171636663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).