2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine

C19H15F3N6 — CID 118663775

IUPAC2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine
SMILESNCc1cc(N)cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C19H15F3N6/c20-19(21,22)17-2-1-3-18(27-17)28-16-6-11(4-5-12(16)10-25-28)15-8-13(24)7-14(9-23)26-15/h1-8,10H,9,23H2,(H2,24,26)
InChIKeyXTRJOQDCDWAELL-UHFFFAOYSA-N
MW384.37 g/mol
LogP3.54
Rot. Bonds3

About 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine

2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine (PubChem CID 118663775) has the molecular formula C19H15F3N6 and a molecular weight of 384.37 g/mol. Its IUPAC name is 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine
PubChem CID118663775
Molecular FormulaC19H15F3N6
Molecular Weight384.37 g/mol
Exact Mass384.13
IUPAC Name2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine
SMILESNCc1cc(N)cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C19H15F3N6/c20-19(21,22)17-2-1-3-18(27-17)28-16-6-11(4-5-12(16)10-25-28)15-8-13(24)7-14(9-23)26-15/h1-8,10H,9,23H2,(H2,24,26)
InChIKeyXTRJOQDCDWAELL-UHFFFAOYSA-N
XLogP3.54
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine?
The IUPAC name of 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine (CID 118663775) is 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine.
What is the SMILES notation for 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine?
The canonical SMILES for 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine is NCc1cc(N)cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine?
The InChIKey is XTRJOQDCDWAELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6/c20-19(21,22)17-2-1-3-18(27-17)28-16-6-11(4-5-12(16)10-25-28)15-8-13(24)7-14(9-23)26-15/h1-8,10H,9,23H2,(H2,24,26).
What are the key properties of 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine?
2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine has a molecular weight of 384.37 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine is sourced from PubChem (CID 118663775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).