N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine

C22H21F3N6 — CID 142126211

IUPACN-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine
SMILESCCn1nc(Nc2cc(CCN)nc(-c3ccccc3C(F)(F)F)n2)c2ccccc21
InChIInChI=1S/C22H21F3N6/c1-2-31-18-10-6-4-8-16(18)21(30-31)29-19-13-14(11-12-26)27-20(28-19)15-7-3-5-9-17(15)22(23,24)25/h3-10,13H,2,11-12,26H2,1H3,(H,27,28,29,30)
InChIKeyAJJOHRMXSISJBO-UHFFFAOYSA-N
MW426.45 g/mol
LogP4.78
Rot. Bonds6

About N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine

N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine (PubChem CID 142126211) has the molecular formula C22H21F3N6 and a molecular weight of 426.45 g/mol. Its IUPAC name is N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine.

Molecular Properties

Compound NameN-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine
PubChem CID142126211
Molecular FormulaC22H21F3N6
Molecular Weight426.45 g/mol
Exact Mass426.18
IUPAC NameN-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine
SMILESCCn1nc(Nc2cc(CCN)nc(-c3ccccc3C(F)(F)F)n2)c2ccccc21
InChIInChI=1S/C22H21F3N6/c1-2-31-18-10-6-4-8-16(18)21(30-31)29-19-13-14(11-12-26)27-20(28-19)15-7-3-5-9-17(15)22(23,24)25/h3-10,13H,2,11-12,26H2,1H3,(H,27,28,29,30)
InChIKeyAJJOHRMXSISJBO-UHFFFAOYSA-N
XLogP4.78
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Unc569
CID 53355503
5-methyl-N-(naphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 660996
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 10042950
5-(2-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 21066096
Dsm-74
CID 25263414
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
N-(3,4-dimethylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 777184
3-(Naphthalen-1-Ylmethyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 46398830
3-methyl-1-phenyl-4,6-bis(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
CID 555240
N-(3-fluoro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 653193
1[2(3Fluorophenyl)5H,6H,7H,8Hpyrazolo[3,2b]quinazolin9yl]piperazine (Inh 6)
CID 1441765

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine?
The IUPAC name of N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine (CID 142126211) is N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine.
What is the SMILES notation for N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine?
The canonical SMILES for N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine is CCn1nc(Nc2cc(CCN)nc(-c3ccccc3C(F)(F)F)n2)c2ccccc21.
What is the InChIKey of N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine?
The InChIKey is AJJOHRMXSISJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6/c1-2-31-18-10-6-4-8-16(18)21(30-31)29-19-13-14(11-12-26)27-20(28-19)15-7-3-5-9-17(15)22(23,24)25/h3-10,13H,2,11-12,26H2,1H3,(H,27,28,29,30).
What are the key properties of N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine?
N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine has a molecular weight of 426.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-aminoethyl)-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-ethylindazol-3-amine is sourced from PubChem (CID 142126211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).