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

C20H17F3N6 — CID 118663562

IUPAC2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine
SMILESCC(N)c1cc(N)cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C20H17F3N6/c1-11(24)15-8-14(25)9-16(27-15)12-5-6-13-10-26-29(17(13)7-12)19-4-2-3-18(28-19)20(21,22)23/h2-11H,24H2,1H3,(H2,25,27)
InChIKeyUQGDIZIHCOTPCZ-UHFFFAOYSA-N
MW398.39 g/mol
LogP4.10
Rot. Bonds3

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

2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine (PubChem CID 118663562) has the molecular formula C20H17F3N6 and a molecular weight of 398.39 g/mol. Its IUPAC name is 2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine.

Molecular Properties

Compound Name2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine
PubChem CID118663562
Molecular FormulaC20H17F3N6
Molecular Weight398.39 g/mol
Exact Mass398.15
IUPAC Name2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine
SMILESCC(N)c1cc(N)cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1
InChIInChI=1S/C20H17F3N6/c1-11(24)15-8-14(25)9-16(27-15)12-5-6-13-10-26-29(17(13)7-12)19-4-2-3-18(28-19)20(21,22)23/h2-11H,24H2,1H3,(H2,25,27)
InChIKeyUQGDIZIHCOTPCZ-UHFFFAOYSA-N
XLogP4.10
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine?
The IUPAC name of 2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine (CID 118663562) is 2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine.
What is the SMILES notation for 2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine?
The canonical SMILES for 2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine is CC(N)c1cc(N)cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)n1.
What is the InChIKey of 2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine?
The InChIKey is UQGDIZIHCOTPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6/c1-11(24)15-8-14(25)9-16(27-15)12-5-6-13-10-26-29(17(13)7-12)19-4-2-3-18(28-19)20(21,22)23/h2-11H,24H2,1H3,(H2,25,27).
What are the key properties of 2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine?
2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine has a molecular weight of 398.39 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine is sourced from PubChem (CID 118663562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).