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

C21H18F3N5 — CID 118663752

IUPAC1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCc1cccc(-n2ncc3c(C(F)(F)F)cc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C21H18F3N5/c1-12-5-3-8-20(27-12)29-19-10-14(18-7-4-6-17(28-18)13(2)25)9-16(21(22,23)24)15(19)11-26-29/h3-11,13H,25H2,1-2H3
InChIKeyHMFCBZDEZPIOAK-UHFFFAOYSA-N
MW397.40 g/mol
LogP4.83
Rot. Bonds3

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

1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine (PubChem CID 118663752) 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)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine
PubChem CID118663752
Molecular FormulaC21H18F3N5
Molecular Weight397.40 g/mol
Exact Mass397.15
IUPAC Name1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine
SMILESCc1cccc(-n2ncc3c(C(F)(F)F)cc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C21H18F3N5/c1-12-5-3-8-20(27-12)29-19-10-14(18-7-4-6-17(28-18)13(2)25)9-16(21(22,23)24)15(19)11-26-29/h3-11,13H,25H2,1-2H3
InChIKeyHMFCBZDEZPIOAK-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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Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The IUPAC name of 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine (CID 118663752) is 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine.
What is the SMILES notation for 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The canonical SMILES for 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine is Cc1cccc(-n2ncc3c(C(F)(F)F)cc(-c4cccc(C(C)N)n4)cc32)n1.
What is the InChIKey of 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine?
The InChIKey is HMFCBZDEZPIOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5/c1-12-5-3-8-20(27-12)29-19-10-14(18-7-4-6-17(28-18)13(2)25)9-16(21(22,23)24)15(19)11-26-29/h3-11,13H,25H2,1-2H3.
What are the key properties of 1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine?
1-[6-[1-(6-methyl-2-pyridinyl)-4-(trifluoromethyl)indazol-6-yl]-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)-4-(trifluoromethyl)indazol-6-yl]-2-pyridinyl]ethanamine is sourced from PubChem (CID 118663752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).