N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid

C27H26ClF3N4O4 — CID 117075287

IUPACN-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid
SMILESClc1ccccc1Nc1ccc2c(cnn2-c2cccc(OCCN3CCOCC3)c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H25ClN4O2.C2HF3O2/c26-23-6-1-2-7-24(23)28-20-8-9-25-19(16-20)18-27-30(25)21-4-3-5-22(17-21)32-15-12-29-10-13-31-14-11-29;3-2(4,5)1(6)7/h1-9,16-18,28H,10-15H2;(H,6,7)
InChIKeyDTAPEIXJMXWKPD-UHFFFAOYSA-N
MW562.98 g/mol
LogP5.77
Rot. Bonds7

About N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid

N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid (PubChem CID 117075287) has the molecular formula C27H26ClF3N4O4 and a molecular weight of 562.98 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid
PubChem CID117075287
Molecular FormulaC27H26ClF3N4O4
Molecular Weight562.98 g/mol
Exact Mass562.16
IUPAC NameN-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid
SMILESClc1ccccc1Nc1ccc2c(cnn2-c2cccc(OCCN3CCOCC3)c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C25H25ClN4O2.C2HF3O2/c26-23-6-1-2-7-24(23)28-20-8-9-25-19(16-20)18-27-30(25)21-4-3-5-22(17-21)32-15-12-29-10-13-31-14-11-29;3-2(4,5)1(6)7/h1-9,16-18,28H,10-15H2;(H,6,7)
InChIKeyDTAPEIXJMXWKPD-UHFFFAOYSA-N
XLogP5.77
TPSA88.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.98
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine;2,2,2-trifluoroacetic acid
CID 117075285
Ethyl 2-[2-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoylamino]acetate
CID 54116994
Ethyl 2-[3-[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]indazol-6-yl]oxypropanoylamino]acetate
CID 67584439
Tert-butyl 6-[2-[[2-(3-amino-4-chlorophenyl)-2-hydroxyethyl]-benzylamino]ethoxy]-3-(trifluoromethyl)indazole-1-carboxylate
CID 68155134
tert-butyl 6-[2-[[(2R)-2-(3-amino-4-chlorophenyl)-2-hydroxyethyl]-benzylamino]ethoxy]-3-(trifluoromethyl)indazole-1-carboxylate
CID 68155135
1-[1-(Tetrahydropyran-2-yl)-indazol-4-yloxy]-3-[2-(2-chlorophenylamino)-ethylamino]-propan-2-ol
CID 20440425
1-[3-(2-morpholin-4-ylethoxy)phenyl]-N-phenylindazol-5-amine
CID 117075286
N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine
CID 117075288

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid (CID 117075287) is N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid is Clc1ccccc1Nc1ccc2c(cnn2-c2cccc(OCCN3CCOCC3)c2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid?
The InChIKey is DTAPEIXJMXWKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O2.C2HF3O2/c26-23-6-1-2-7-24(23)28-20-8-9-25-19(16-20)18-27-30(25)21-4-3-5-22(17-21)32-15-12-29-10-13-31-14-11-29;3-2(4,5)1(6)7/h1-9,16-18,28H,10-15H2;(H,6,7).
What are the key properties of N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid?
N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid has a molecular weight of 562.98 g/mol, XLogP of 5.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]indazol-5-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117075287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).