1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine

C21H18F3N5 — CID 118663870

IUPAC1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESCc1cccc(-n2ncc3ccc(-c4cc(C(F)(F)F)cc(C(C)N)n4)cc32)n1
InChIInChI=1S/C21H18F3N5/c1-12-4-3-5-20(27-12)29-19-8-14(6-7-15(19)11-26-29)18-10-16(21(22,23)24)9-17(28-18)13(2)25/h3-11,13H,25H2,1-2H3
InChIKeyHIFDZGMVPIOIQC-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.83
Rot. Bonds3

About 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine

1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine (PubChem CID 118663870) has the molecular formula C21H18F3N5 and a molecular weight of 397.40 g/mol. Its IUPAC name is 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine
PubChem CID118663870
Molecular FormulaC21H18F3N5
Molecular Weight397.40 g/mol
Exact Mass397.15
IUPAC Name1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine
SMILESCc1cccc(-n2ncc3ccc(-c4cc(C(F)(F)F)cc(C(C)N)n4)cc32)n1
InChIInChI=1S/C21H18F3N5/c1-12-4-3-5-20(27-12)29-19-8-14(6-7-15(19)11-26-29)18-10-16(21(22,23)24)9-17(28-18)13(2)25/h3-11,13H,25H2,1-2H3
InChIKeyHIFDZGMVPIOIQC-UHFFFAOYSA-N
XLogP4.83
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;(NZ)-N-[1-[4-methyl-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethylidene]hydroxylamine
CID 172964739
(1S)-1-[6-[1-[6-(difluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]ethanamine
CID 118664176
2-amino-2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]acetamide
CID 118664462
6-(6-methyl-2-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
CID 118664464
1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine
CID 118663752
(1S)-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]butan-1-amine
CID 118664339
1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 118663762
(1S)-1-[6-[6-[6-[(1S)-1-aminoethyl]-2-pyridinyl]indazol-1-yl]-2-pyridinyl]ethanol
CID 154826539
3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid
CID 118663896
N-[(4-methoxyphenyl)methyl]-1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine;1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]ethanamine
CID 162024801
2-(aminomethyl)-6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyridin-4-amine
CID 118664082
1-[6-[1-(1-methylpyrazol-3-yl)indazol-6-yl]-2-pyridinyl]ethanamine
CID 118664654

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine?
The IUPAC name of 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine (CID 118663870) is 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine is Cc1cccc(-n2ncc3ccc(-c4cc(C(F)(F)F)cc(C(C)N)n4)cc32)n1.
What is the InChIKey of 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine?
The InChIKey is HIFDZGMVPIOIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5/c1-12-4-3-5-20(27-12)29-19-8-14(6-7-15(19)11-26-29)18-10-16(21(22,23)24)9-17(28-18)13(2)25/h3-11,13H,25H2,1-2H3.
What are the key properties of 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine?
1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine has a molecular weight of 397.40 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-4-(trifluoromethyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 118663870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).