[6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol

C19H14F3N5O — CID 118663996

IUPAC[6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol
SMILESNc1cncc(-c2cc(CO)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)17-2-1-3-18(26-17)27-16-6-11(12-5-14(23)8-24-7-12)4-13(10-28)15(16)9-25-27/h1-9,28H,10,23H2
InChIKeyFNHRBVDNZSIBJE-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.58
Rot. Bonds3

About [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol

[6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol (PubChem CID 118663996) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol.

Molecular Properties

Compound Name[6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol
PubChem CID118663996
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name[6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol
SMILESNc1cncc(-c2cc(CO)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1
InChIInChI=1S/C19H14F3N5O/c20-19(21,22)17-2-1-3-18(26-17)27-16-6-11(12-5-14(23)8-24-7-12)4-13(10-28)15(16)9-25-27/h1-9,28H,10,23H2
InChIKeyFNHRBVDNZSIBJE-UHFFFAOYSA-N
XLogP3.58
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol?
The IUPAC name of [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol (CID 118663996) is [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol.
What is the SMILES notation for [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol?
The canonical SMILES for [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol is Nc1cncc(-c2cc(CO)c3cnn(-c4cccc(C(F)(F)F)n4)c3c2)c1.
What is the InChIKey of [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol?
The InChIKey is FNHRBVDNZSIBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c20-19(21,22)17-2-1-3-18(26-17)27-16-6-11(12-5-14(23)8-24-7-12)4-13(10-28)15(16)9-25-27/h1-9,28H,10,23H2.
What are the key properties of [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol?
[6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol has a molecular weight of 385.35 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-4-yl]methanol is sourced from PubChem (CID 118663996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).